SCHEMBL799713

SCHEMBL799713

OCc1ccc([C@H](O)C[C@H]2CO2)cc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
HIF1A Q16665 1/20 0.33
TSHR P16473 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7694718 1.00 CYP1A2 (0.33) CYP1A2CYP2D6HIF1ATSHR
SCHEMBL2745122 1.00 CYP1A2 (0.33) CYP1A2CYP2D6HIF1ATSHR
SCHEMBL2744914 1.00 CYP1A2 (0.33) CYP1A2CYP2D6HIF1ATSHR
SCHEMBL28045902 0.84 TSHR (0.39) CYP1A2CYP2D6HIF1ATSHR
SCHEMBL14475696 0.80 ADRB3 (0.34) CYP1A2CYP2D6HIF1ATSHR
SCHEMBL9721750 0.80 KDM4E (0.46)
SCHEMBL17158431 0.80 AOC3 (0.43) TSHR
SCHEMBL14384675 0.79 CYP1A2 (0.50) CYP1A2CYP2D6HIF1A
SCHEMBL8260418 0.79 CYP1A2 (0.50) CYP1A2CYP2D6HIF1A
SCHEMBL8256890 0.79 CYP1A2 (0.50) CYP1A2CYP2D6HIF1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9273134-B2 Inhibitors of receptor tyrosine kinases and methods of use thereof YALE UNIVERSITY (US) 2016-03-01 US disclosed
US-9273134-B2 Inhibitors of receptor tyrosine kinases and methods of use thereof YALE UNIVERSITY (US) 2016-03-01 US disclosed
US-8410028-B2 Methods for synthesis of encoded libraries GLAXOSMITHKLINE LLC (US) 2013-04-02 US disclosed
US-8410028-B2 Methods for synthesis of encoded libraries GLAXOSMITHKLINE LLC (US) 2013-04-02 US disclosed
US-20120328599-A1 INHIBITORS OF RECEPTOR TYROSINE KINASES (RTK) AND METHODS OF USE THEREOF YALE UNIVERSITY (US) 2012-12-27 US disclosed
US-20120328599-A1 INHIBITORS OF RECEPTOR TYROSINE KINASES (RTK) AND METHODS OF USE THEREOF YALE UNIVERSITY (US) 2012-12-27 US disclosed
US-20120071329-A1 METHODS FOR IDENTIFYING COMPOUNDS OF INTEREST USING ENCODED LIBRARIES GLAXOSMITHKLINE LLC (US) 2012-03-22 US disclosed
US-20120071329-A1 METHODS FOR IDENTIFYING COMPOUNDS OF INTEREST USING ENCODED LIBRARIES GLAXOSMITHKLINE LLC (US) 2012-03-22 US disclosed
US-20110311538-A1 INHIBITORS OF RECEPTOR TYROSINE KINASES AND METHODS OF USE THEREOF YALE UNIVERSITY (US) 2011-12-22 US disclosed
US-20110311538-A1 INHIBITORS OF RECEPTOR TYROSINE KINASES AND METHODS OF USE THEREOF YALE UNIVERSITY (US) 2011-12-22 US disclosed
US-7989395-B2 Methods for identifying compounds of interest using encoded libraries GLAXOSMITHKLINE LLC (US) 2011-08-02 US disclosed
US-7989395-B2 Methods for identifying compounds of interest using encoded libraries GLAXOSMITHKLINE LLC (US) 2011-08-02 US disclosed
US-7972994-B2 Methods for synthesis of encoded libraries GLAXOSMITHKLINE LLC (US) 2011-07-05 US disclosed
US-7972994-B2 Methods for synthesis of encoded libraries GLAXOSMITHKLINE LLC (US) 2011-07-05 US disclosed
EP-1910538-B1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES PRAECIS PHARM INC (US) 2011-04-27 EP disclosed
US-20070224607-A1 Methods for identifying compounds of interest using encoded libraries PRAECIS PHARMACEUTICALS INCORPORATED (US) 2007-09-27 US disclosed
US-20070224607-A1 Methods for identifying compounds of interest using encoded libraries PRAECIS PHARMACEUTICALS INCORPORATED (US) 2007-09-27 US disclosed
US-7244853-B2 Dioxanes and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-07-17 US disclosed
US-20070042401-A1 Methods for synthesis of encoded libraries PRAECIS PHARMACEUTICALS, INC. (US) 2007-02-22 US disclosed
US-20070042401-A1 Methods for synthesis of encoded libraries PRAECIS PHARMACEUTICALS, INC. (US) 2007-02-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110311538-A1 INHIBITORS OF RECEPTOR TYROSINE KINASES AND METHODS OF USE THEREOF ABL1, PDGFRA, PDGFRB CYP1A2 4578/4885CYP2D6 3193/4885HIF1A 4162/4885
US-20120328599-A1 INHIBITORS OF RECEPTOR TYROSINE KINASES (RTK) AND METHODS OF USE THEREOF ERBB2, ERBB3, ERBB4 CYP1A2 4793/4885CYP2D6 4637/4885HIF1A 1887/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.