SCHEMBL6516405

SCHEMBL6516405

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

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 12/20 0.64
THRB P10828 12/20 0.64
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.44
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
HTR2A P28223 1/20 0.39
MAPT P10636 1/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
GPR84 Q9NQS5 1/20 0.37
MTNR1A P48039 1/20 0.37

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
SCHEMBL6517048 0.94 THRA (0.66) THRATHRBKDM4ETSHRPPARG
SCHEMBL6515914 0.93 THRA (0.62) THRATHRBKDM4EPPARGPPARD
SCHEMBL6519369 0.92 THRA (0.60) THRATHRBKDM4EPPARGPPARD
SCHEMBL6513749 0.92 THRA (0.56) THRATHRBKDM4ETSHRPPARG
SCHEMBL6515972 0.90 THRB (0.59) THRATHRBKDM4ETSHR
SCHEMBL6515549 0.90 THRB (0.59) THRATHRBKDM4ETSHR
SCHEMBL6511210 0.88 THRA (0.53) THRATHRBKDM4ETSHRPPARG
SCHEMBL6516484 0.88 THRB (0.53) THRATHRBKDM4ETSHRPPARG
SCHEMBL6523656 0.86 THRA (0.64) THRATHRBKDM4EMTNR1A
SCHEMBL6520210 0.86 THRA (0.68) THRATHRBKDM4ETSHRPPARG

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 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.