SCHEMBL6863345

SCHEMBL6863345

COc1ccc(Cc2c(C)cc(NC(=O)OC(C)(C)C)cc2C)cc1C(C)C

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 12/20 0.44
THRA P10827 9/20 0.44
PPARG P37231 1/20 0.41
OPRK1 P41145 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
CYP17A1 P05093 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
RORC P51449 2/20 0.39
LPAR1 Q92633 1/20 0.38

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
SCHEMBL6864242 0.87 THRB (0.49) THRBTHRAOPRK1RORCLPAR1
SCHEMBL6863331 0.81 THRB (0.66) THRBTHRAALDH1A1GAA
SCHEMBL6862542 0.81 MTNR1A (0.43) PPARGOPRK1MTNR1AMTNR1BCYP17A1
SCHEMBL6865527 0.79 ALDH1A1 (0.39) ALDH1A1GAALPAR1
SCHEMBL282445 0.76 THRB (0.49) THRBTHRAOPRK1RORC
SCHEMBL7114452 0.75 THRB (0.50) THRBTHRAGAARORC
SCHEMBL26714182 0.74 THRB (0.47) THRBTHRAOPRK1RORCLPAR1
SCHEMBL666032 0.74 THRB (0.43) THRBTHRAOPRK1ALDH1A1GAA
SCHEMBL6864460 0.74 THRB (0.48) THRBTHRAOPRK1ALDH1A1GAA
SCHEMBL667473 0.74 THRB (0.45) THRBTHRAOPRK1ALDH1A1RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 2653/4885THRA 2817/4885PPARG 217/4885

“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.