SCHEMBL6864460

SCHEMBL6864460

COc1ccc(Cc2c(C)cc(N)cc2C)cc1C(C)C

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 9/20 0.48
GAA P10253 3/20 0.45
POLB P06746 1/20 0.45
GFER P55789 1/20 0.45
THRA P10827 8/20 0.43
ALDH1A1 P00352 1/20 0.41
CA2 P00918 1/20 0.41
OPRK1 P41145 1/20 0.39
CYP19A1 P11511 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL7114452 0.87 THRB (0.50) THRBGAAPOLBGFERTHRA
SCHEMBL282125 0.87 THRB (0.47) THRBGAAPOLBGFERTHRA
SCHEMBL666032 0.86 THRB (0.43) THRBGAAPOLBGFERTHRA
SCHEMBL282445 0.86 THRB (0.49) THRBTHRACA2OPRK1
SCHEMBL667473 0.80 THRB (0.45) THRBTHRAALDH1A1OPRK1
SCHEMBL27702889 0.79 THRB (0.64) THRBTHRA
SCHEMBL7590192 0.79 ALDH1A1 (0.43) THRBGAATHRAALDH1A1KDM4E
SCHEMBL667776 0.79 THRB (0.39) THRBGAAPOLBGFERTHRA
SCHEMBL6864242 0.79 THRB (0.49) THRBTHRAOPRK1KDM4E
SCHEMBL7599524 0.77 THRB (0.47) THRBTHRAOPRK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1286957-B1 DIPHENYLMETHANE DERIVATIVES BAYER HEALTHCARE AG (DE) 2004-11-03 EP disclosed
US-6803480-B2 THERAPEUTIC TREATMENT AND/OR PROPHYLAXIS OF ARTERIOSCLEROSIS AND HYPERCHOLESTEROLAEMIA BAYER AKTIENGESELLSCHAFT (DE) 2004-10-12 US disclosed
US-20030203898-A1 Therapeutic treatment and/or prophylaxis of arteriosclerosis and hypercholesterolaemia BAYER AKTIENGESELLSCHAFT (DE) 2003-10-30 US disclosed
EP-1286957-A1 DIPHENYLMETHANE DERIVATIVES Bayer Aktiengesellschaft (DE) 2003-03-05 EP disclosed
WO-2001090053-A1 DIPHENYLMETHANE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2001-11-29 WO 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 (1 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-20030203898-A1 Therapeutic treatment and/or prophylaxis of arteriosclerosis and hypercholesterolaemia APOB, HMGCR, PCSK9 THRB 2653/4885GAA 1550/4885POLB 1899/4885

“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.