SCHEMBL2957759

SCHEMBL2957759

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

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.60
MTNR1B P49286 2/20 0.60
GAA P10253 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
CA12 O43570 1/20 0.49
FFAR1 O14842 1/20 0.46
MAPT P10636 3/20 0.45
HSD17B10 Q99714 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.45
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
FFAR4 Q5NUL3 1/20 0.42

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
SCHEMBL2964538 0.88 PTGDR2 (0.49) MTNR1AMTNR1BGAANPSR1MEN1
SCHEMBL2968543 0.85 MTNR1A (0.44) MTNR1AMTNR1BGAANPSR1MEN1
SCHEMBL25447084 0.85 CA1 (0.49) MTNR1AMTNR1BMEN1KMT2ACA1
SCHEMBL1209469 0.85 CA1 (0.49) MTNR1AMTNR1BMEN1KMT2ACA1
SCHEMBL21921670 0.84 FFAR1 (0.47) MTNR1AMTNR1BNPSR1MEN1KMT2A
SCHEMBL30997806 0.84 CA1 (0.48) MTNR1AMTNR1BMEN1KMT2ACA1
SCHEMBL24737345 0.84 CA1 (0.48) MTNR1AMTNR1BMEN1KMT2ACA1
SCHEMBL2962486 0.84 FFAR1 (0.47) MTNR1AMTNR1BGAANPSR1MEN1
SCHEMBL2134746 0.84 FFAR1 (0.47) MTNR1AMTNR1BNPSR1MEN1KMT2A
SCHEMBL29302272 0.84 CA1 (0.48) MTNR1AMTNR1BMEN1KMT2ACA1

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 1680/4885GAA 4360/4885
US-20080260749-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 MTNR1A 1358/4885MTNR1B 1591/4885GAA 4321/4885

“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.