SCHEMBL2960964

SCHEMBL2960964

COc1cccc(C)c1C1CC1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.43
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
CA12 O43570 2/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
LTC4S Q16873 1/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
STAT6 P42226 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
HCRTR1 O43613 1/20 0.37

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
SCHEMBL27363023 0.85 FFAR1 (0.50) FFAR1KDM4ETDP1RAB9AALDH1A1
SCHEMBL2968880 0.85 L3MBTL1 (0.43) FFAR1KDM4ETDP1RAB9AHCRTR1
SCHEMBL16586861 0.84 KDM1A (0.44) FFAR1CA1CA2CA9CA12
SCHEMBL16586862 0.84 KDM1A (0.44) FFAR1CA1CA2CA9CA12
SCHEMBL12592384 0.82 ALDH1A1 (0.43) CA1CA2CA9CA12CA7
SCHEMBL2969354 0.79 FFAR1 (0.43) FFAR1CA1CA2CA9CA12
SCHEMBL1208921 0.76 HTR2A (0.50) FFAR1CA1CA2CA9CA12
SCHEMBL17103923 0.76 HTR2A (0.50) FFAR1CA1CA2CA9CA12
SCHEMBL2968329 0.76 CA1 (0.46) FFAR1CA1CA2CA9CA12
SCHEMBL2957757 0.76 FFAR1 (0.43) FFAR1CA1CA2CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763728-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-07-27 US disclosed
US-20090257977-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES PEKARI KLAUS 2009-10-15 US disclosed
US-20080260749-A1 Novel Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2008-10-23 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-20090257977-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES BAX, BCL2, CCAR2 FFAR1 3410/4885CA1 3611/4885CA2 4177/4885
US-20080260749-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 FFAR1 3294/4885CA1 3540/4885CA2 4199/4885

“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.