SCHEMBL2961356

SCHEMBL2961356

CCOc1c(OC)cccc1C1CC1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 2/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
TBXA2R P21731 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40
PTGER1 P34995 1/20 0.40
PTGER4 P35408 1/20 0.40
DRD3 P35462 1/20 0.40
PTGFR P43088 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 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
SCHEMBL2968329 0.88 CA1 (0.46) TSHRCA1CA2CA9CA12
SCHEMBL2973921 0.84 PTGER4 (0.47) KMT2ATSHRMEN1DRD2DRD1
SCHEMBL1208094 0.82 HTR2C (0.55) KMT2AMEN1DRD2DRD1TBXA2R
SCHEMBL17103923 0.80 HTR2A (0.50) KMT2AMEN1CA1CA2CA9
SCHEMBL1208921 0.80 HTR2A (0.50) KMT2AMEN1CA1CA2CA9
SCHEMBL2969354 0.79 FFAR1 (0.43) KMT2ATSHRMEN1CA1CA2
SCHEMBL2963974 0.78 CA1 (0.42) KMT2AMEN1CA1CA2CA9
SCHEMBL2957757 0.76 FFAR1 (0.43) CA1CA2CA9CA12DRD2
SCHEMBL2968880 0.74 L3MBTL1 (0.43) KMT2ATSHRMEN1ALDH1A1CYP2C9
SCHEMBL2964538 0.74 PTGDR2 (0.49) MAPK1KMT2ATSHRMEN1CA1

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 TP53 75/4885MAPK1 1508/4885KMT2A 2418/4885
US-20080260749-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 TP53 55/4885MAPK1 1427/4885KMT2A 2644/4885

“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.