SCHEMBL2968543

SCHEMBL2968543

COc1ccc(C)c(C2CC2C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 1/20 0.41
FFAR1 O14842 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
HSPA1A P0DMV8 1/20 0.40
PTPN7 P35236 1/20 0.40
P2RX7 Q99572 1/20 0.40
CA12 O43570 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
SLC9A1 P19634 1/20 0.39
HTT P42858 1/20 0.39
LTC4S Q16873 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL2957759 0.85 MTNR1A (0.60) MTNR1AMTNR1BKMT2AMEN1NPSR1
SCHEMBL2134742 0.84 FFAR1 (0.47) MTNR1AMTNR1BKMT2AMEN1NPSR1
SCHEMBL2962486 0.84 FFAR1 (0.47) MTNR1AMTNR1BKMT2AMEN1NPSR1
SCHEMBL21921670 0.84 FFAR1 (0.47) MTNR1AMTNR1BKMT2AMEN1NPSR1
SCHEMBL2134746 0.84 FFAR1 (0.47) MTNR1AMTNR1BKMT2AMEN1NPSR1
SCHEMBL3420074 0.81 FFAR1 (0.50) KMT2AMEN1GAAFFAR1HSPA1A
SCHEMBL2133690 0.81 FFAR1 (0.47) KMT2AFFAR1
SCHEMBL10288350 0.81 FFAR1 (0.47) KMT2AFFAR1
SCHEMBL14480439 0.81 FFAR1 (0.47) KMT2AFFAR1
SCHEMBL10289079 0.81 FFAR1 (0.47) KMT2AFFAR1

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 MTNR1A 1374/4885MTNR1B 1680/4885KMT2A 2418/4885
US-20080260749-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 MTNR1A 1358/4885MTNR1B 1591/4885KMT2A 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.