SCHEMBL2957757

SCHEMBL2957757

COc1c(C)cccc1C1CC1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.43
PTGER4 P35408 2/20 0.42
PTGER3 P43115 2/20 0.42
PTGER2 P43116 2/20 0.42
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA9 Q16790 3/20 0.40
CA12 O43570 2/20 0.40
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
TBXA2R P21731 1/20 0.34
DRD4 P21917 1/20 0.34

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
SCHEMBL2968329 0.85 CA1 (0.46) FFAR1CA1CA2CA9CA12
SCHEMBL2973921 0.84 PTGER4 (0.47) FFAR1PTGER4PTGER3PTGER2SMN1; SMN2
SCHEMBL3419095 0.81 HTR2C (0.49) FFAR1AREDNRBEDNRA
SCHEMBL14892502 0.80 FFAR1 (0.52) FFAR1AR
SCHEMBL3423257 0.80 FFAR1 (0.52) FFAR1AR
SCHEMBL2969354 0.79 FFAR1 (0.43) FFAR1PTGER4PTGER3PTGER2CA1
SCHEMBL3421675 0.78 FFAR1 (0.45) FFAR1KDM4EALDH1A1HPGDAR
SCHEMBL17103923 0.76 HTR2A (0.50) FFAR1PTGER4PTGER3PTGER2CA1
SCHEMBL1208921 0.76 HTR2A (0.50) FFAR1PTGER4PTGER3PTGER2CA1
SCHEMBL2961356 0.76 TP53 (0.46) PTGER4PTGER3PTGER2CA1CA2

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 3410/4885PTGER4 1411/4885PTGER3 2447/4885
US-20080260749-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 FFAR1 3294/4885PTGER4 1425/4885PTGER3 2437/4885

“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.