SCHEMBL6514451

SCHEMBL6514451

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 16/20 0.51
THRB P10828 16/20 0.51
KDM4E B2RXH2 1/20 0.48
TRPV1 Q8NER1 1/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
MEN1 O00255 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
LTA4H P09960 1/20 0.41
PLA2G2A P14555 1/20 0.41
KMT2A Q03164 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
SCHEMBL6516973 0.94 THRA (0.54) THRATHRBKDM4ETRPV1
SCHEMBL6853790 0.93 THRA (0.55) THRATHRBKDM4ETRPV1PPARG
SCHEMBL6511324 0.90 THRA (0.52) THRATHRBKDM4E
SCHEMBL6512855 0.89 THRB (0.51) THRATHRBKDM4ETRPV1PPARG
SCHEMBL6516605 0.88 THRB (0.48) THRATHRBKDM4ETRPV1MEN1
SCHEMBL6515934 0.87 KDM4E (0.49) THRATHRBKDM4EPPARGPPARD
SCHEMBL6520117 0.87 THRB (0.67) THRATHRBKDM4ETRPV1
SCHEMBL6518464 0.86 KDM4E (0.48) THRATHRBKDM4EPPARGPPARD
SCHEMBL6518525 0.86 THRA (0.68) THRATHRB
SCHEMBL6511148 0.86 THRA (0.68) THRATHRBKDM4ETRPV1PPARG

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
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
EP-1347959-A1 INDOLE DERIVATIVES AS LIGANDS OF THYROID RECEPTORS Bayer Aktiengesellschaft (DE) 2003-10-01 EP disclosed
US-20030078288-A1 Indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2003-04-24 US disclosed
WO-2002051805-A1 INDOLE DERIVATIVES AS LIGANDS OF THYROID RECEPTORS BAYER AKTIENGESELLSCHAFT (DE) 2002-07-04 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 (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 THRA 2460/4885THRB 1772/4885KDM4E 1199/4885
US-20050032874-A1 Anticholesterol agents; arteriosclerosis HMGCR, CYP46A1, EBP THRA 1917/4885THRB 1835/4885KDM4E 2994/4885

“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.