SCHEMBL12370100

SCHEMBL12370100

COc1ccc(CF)cc1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
RORC P51449 1/20 0.44
CA2 P00918 1/20 0.42
ALOX15 P16050 2/20 0.42
ALOX12 P18054 2/20 0.42
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
GAA P10253 2/20 0.40
POLB P06746 1/20 0.40
GFER P55789 1/20 0.40
FOS P01100 1/20 0.39
TTR P02766 1/20 0.39
JUN P05412 1/20 0.39
NR3C1 P04150 1/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
CYP2D6 P10635 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38
ADRA2A P08913 1/20 0.38

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
SCHEMBL10239569 0.83 THRB (0.46) THRBRORCCA2ALOX15ALOX12
SCHEMBL30484233 0.81 THRB (0.58) THRBRORCCA2ALOX15ALOX12
SCHEMBL6694246 0.81 THRB (0.58) THRBRORCCA2ALOX15ALOX12
SCHEMBL11082043 0.81 TTR (0.50) THRBRORCCA2ALOX15ALOX12
SCHEMBL6690387 0.81 THRB (0.44) THRBRORCCA2ALOX15ALOX12
SCHEMBL12120763 0.81 ALOX15 (0.50) THRBRORCCA2ALOX15ALOX12
Ammonia Solution, Strong SCHEMBL11077793 0.81 THRB (0.44) THRBRORCCA2ALOX15ALOX12
SCHEMBL11077789 0.79 KDM4E (0.66) TSHRKDM4EATMADRA1A
SCHEMBL6705744 0.79 ATM (0.43) THRBRORCCA2ALOX15ALOX12
SCHEMBL1678554 0.77 THRB (0.42) THRBRORCCA2ALOX15ALOX12

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 2 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-20090209564-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds And Methods Of Use MERCK & CO., INC. 2009-08-20 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 (1 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-20090209564-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds And Methods Of Use GCGR, GLP1R, GPR119 THRB 68/4885RORC 784/4885CA2 1288/4885

“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.