SCHEMBL6516133

SCHEMBL6516133

CC(C)c1c[nH]c2ccc(Oc3c(C(F)(F)F)cc(CC(=O)O)cc3C(F)(F)F)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
THRA P10827 17/20 1.00
THRB P10828 17/20 1.00
KDM4E B2RXH2 1/20 0.43
TRPV1 Q8NER1 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 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
SCHEMBL6520173 0.94 THRA (0.89) THRATHRBKDM4E
SCHEMBL6515632 0.93 THRB (0.87) THRATHRB
SCHEMBL6520607 0.93 THRB (0.87) THRATHRB
SCHEMBL6514295 0.91 THRA (0.84) THRATHRBKDM4ETRPV1MTNR1A
SCHEMBL6515477 0.90 THRA (1.00) THRATHRBTRPV1MTNR1AMTNR1B
SCHEMBL6515924 0.89 THRA (0.80) THRATHRBTRPV1MTNR1AMTNR1B
SCHEMBL6524689 0.87 THRB (0.77) THRATHRBTRPV1MTNR1AMTNR1B
SCHEMBL6510913 0.86 THRA (0.75) THRATHRBKDM4ETRPV1MTNR1A
SCHEMBL6522292 0.86 THRA (0.75) THRATHRBKDM4ETRPV1MTNR1A
SCHEMBL6515676 0.85 THRA (0.74) THRATHRBTRPV1MTNR1AMTNR1B

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.