SCHEMBL2961573

SCHEMBL2961573

CCOc1cccc(C2CC2C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.49
FFAR1 O14842 6/20 0.46
DGAT2 Q96PD7 1/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
CYP4F2 P78329 2/20 0.45
CYP4A11 Q02928 2/20 0.45
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL7003208 0.84 SLC9A1 (0.67) SLC9A1FFAR1DGAT2L3MBTL1
SCHEMBL7003204 0.84 SLC9A1 (0.67) SLC9A1FFAR1DGAT2L3MBTL1
SCHEMBL21501023 0.84 SLC9A1 (0.67) SLC9A1FFAR1DGAT2L3MBTL1
SCHEMBL10288769 0.84 SLC9A1 (0.67) SLC9A1FFAR1DGAT2L3MBTL1
SCHEMBL1207144 0.84 SLC9A1 (0.67) SLC9A1FFAR1DGAT2L3MBTL1
SCHEMBL24737951 0.84 SLC9A1 (0.67) SLC9A1FFAR1DGAT2L3MBTL1
SCHEMBL10288351 0.83 CYP4F2 (0.56) FFAR1ALDH1A1KDM4ECYP4F2CYP4A11
SCHEMBL2136322 0.83 CYP4F2 (0.56) FFAR1ALDH1A1KDM4ECYP4F2CYP4A11
SCHEMBL4780490 0.83 KDM4E (0.54) SLC9A1FFAR1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL2776604 0.82 FFAR1 (0.55) FFAR1SMN1; SMN2CYP4F2CYP4A11L3MBTL1

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 SLC9A1 4724/4885FFAR1 3410/4885DGAT2 1992/4885
US-20080260749-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 SLC9A1 4718/4885FFAR1 3294/4885DGAT2 2185/4885

“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.