SCHEMBL6522339

SCHEMBL6522339

Cc1cc(CC(=O)O)cc(Cl)c1Oc1ccc2[nH]cc(Cc3ccc(Cl)cc3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
THRA P10827 8/20 0.46
THRB P10828 8/20 0.46
CPT1A P50416 1/20 0.45
CPT1B Q92523 1/20 0.45
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
SNCA P37840 3/20 0.42
HTR2A P28223 1/20 0.41

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
SCHEMBL6515485 0.95 KDM4E (0.50) KDM4ETHRATHRBCPT1ACPT1B
SCHEMBL6518464 0.93 KDM4E (0.48) KDM4ETHRATHRBPPARGPPARD
SCHEMBL6523621 0.93 THRB (0.51) KDM4ETHRATHRBCPT1ACPT1B
SCHEMBL6511210 0.93 THRA (0.53) KDM4ETHRATHRBCPT1ACPT1B
SCHEMBL6520144 0.91 KDM4E (0.46) KDM4ETHRATHRBCPT1ACPT1B
SCHEMBL6516338 0.89 THRA (0.50) KDM4ETHRATHRBCPT1ACPT1B
SCHEMBL6519369 0.88 THRA (0.60) KDM4ETHRATHRBCPT1ACPT1B
SCHEMBL6515934 0.87 KDM4E (0.49) KDM4ETHRATHRBPPARGPPARD
SCHEMBL6511409 0.86 THRB (0.59) KDM4ETHRATHRBCPT1ACPT1B
SCHEMBL6515180 0.86 THRB (0.53) KDM4ETHRATHRB

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-20050032874-A1 Anticholesterol agents; arteriosclerosis BAYER AKTIENGESELLSCHAFT (DE) 2005-02-10 US disclosed
US-6794406-B2 FOR THERAPY AND PROPHYLAXIS OF ARTERIOSCLEROSIS AND HYPERCHOLESTEROLAEMIA BAYER AKTIENGESELLSCHAFT (DE) 2004-09-21 US disclosed
US-20030078288-A1 Indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2003-04-24 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-20030078288-A1 Indole derivatives IDO1, IDO2, TPH2 KDM4E 1199/4885THRA 2460/4885THRB 1772/4885
US-20050032874-A1 Anticholesterol agents; arteriosclerosis HMGCR, CYP46A1, EBP KDM4E 2994/4885THRA 1917/4885THRB 1835/4885

“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.