SCHEMBL976408

SCHEMBL976408

COC(=O)c1ccc(C2(O)CC3CCC2C3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.44
HIF1A Q16665 1/20 0.41
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
ATM Q13315 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CA12 O43570 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40

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
SCHEMBL977249 0.80 CA1 (0.51) EPHX2ALDH1A1CA1CA2MAPT
SCHEMBL12920589 0.80 CA1 (0.51) EPHX2ALDH1A1CA1CA2MAPT
SCHEMBL12920594 0.80 CA1 (0.51) EPHX2ALDH1A1CA1CA2MAPT
SCHEMBL2251856 0.74 ALOX5AP (0.43) EPHX2HIF1AALDH1A1CA1CA2
SCHEMBL979119 0.74 ALOX5AP (0.39) EPHX2HSD11B1
SCHEMBL18905268 0.74 ALOX5AP (0.39) HSD11B1
SCHEMBL3582800 0.74 ALOX5AP (0.51) SMN1; SMN2MAPTATMLMNAHSD11B1
SCHEMBL2247662 0.74 ALOX5AP (0.45) EPHX2HIF1ACA1CA2CA12
SCHEMBL12948046 0.74 HSD11B1 (0.39) ALDH1A1KDM4EHSD11B1
SCHEMBL12920692 0.73 ALOX5AP (0.49) CA1CA2CA12CA7CA9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989472-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2011-08-02 US disclosed
US-20110003815-A1 DIPHENYL SUBSTITUTED CYCLOALKANES MERCK & CO., INC. 2011-01-06 US disclosed
US-20110003815-A1 DIPHENYL SUBSTITUTED CYCLOALKANES MERCK & CO., INC. 2011-01-06 US disclosed
US-20090209564-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds And Methods Of Use MERCK & CO., INC. 2009-08-20 US disclosed
WO-2009048547-A1 DIPHENYL SUBSTITUTED CYCLOALKANES MERCK & CO., INC. (US) 2009-04-16 WO 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-20110003815-A1 DIPHENYL SUBSTITUTED CYCLOALKANES PTGIS, PTGS1, LTC4S EPHX2 1042/4885HIF1A 725/4885ALDH1A1 292/4885
US-20090209564-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds And Methods Of Use GCGR, GLP1R, GPR119 EPHX2 1368/4885HIF1A 3249/4885ALDH1A1 4625/4885

“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.