Expanding opportunities for mining bioactive chemistry from patents

Drug Discov Today Technol. 2015 Jul;14:3-9. doi: 10.1016/j.ddtec.2014.12.001. Epub 2015 Feb 11.


Bioactive structures published in medicinal chemistry patents typically exceed those in papers by at least twofold and may precede them by several years. The Big-Bang of open automated extraction since 2012 has contributed to over 15 million patent-derived compounds in PubChem. While mapping between chemical structures, assay results and protein targets from patent documents is challenging, these relationships can be harvested using open tools and are beginning to be curated into databases.

Publication types

  • Research Support, Non-U.S. Gov't
  • Review

MeSH terms

  • Chemistry, Pharmaceutical
  • Data Mining
  • Databases, Factual*
  • Patents as Topic*