SCHEMBL6515834

SCHEMBL6515834

Cc1cc(CC(=O)O)cc(C(F)(F)F)c1Oc1ccc2[nH]cc(CC3CCCCC3)c2c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 10/20 0.59
THRA P10827 9/20 0.59
S1PR1 P21453 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HTR6 P50406 1/20 0.41
BCHE P06276 1/20 0.39
HTR1A P08908 2/20 0.39
HTR1B P28222 2/20 0.39
HTR1D P28221 1/20 0.39
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
TRPV1 Q8NER1 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
SCHEMBL6518435 0.99 THRA (0.60) THRBTHRAS1PR1KDM4EHTR6
SCHEMBL6520683 0.97 THRA (0.60) THRBTHRAS1PR1KDM4EHTR6
SCHEMBL6519382 0.96 THRA (0.61) THRBTHRAS1PR1KDM4EPPARG
SCHEMBL6519176 0.94 THRB (0.64) THRBTHRAS1PR1KDM4EHTR6
SCHEMBL6518573 0.93 THRB (0.65) THRBTHRAS1PR1KDM4EBCHE
SCHEMBL6513913 0.91 THRA (0.65) THRBTHRAS1PR1KDM4EHTR1A
SCHEMBL6511535 0.91 KDM4E (0.49) THRBTHRAKDM4EHTR6BCHE
SCHEMBL6519373 0.90 KDM4E (0.50) THRBTHRAKDM4EHTR6BCHE
SCHEMBL6516025 0.90 THRB (0.56) THRBTHRAS1PR1KDM4EBCHE
SCHEMBL6516005 0.90 THRB (0.56) THRBTHRAS1PR1KDM4EHTR1A

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 THRB 1772/4885THRA 2460/4885S1PR1 2318/4885
US-20050032874-A1 Anticholesterol agents; arteriosclerosis HMGCR, CYP46A1, EBP THRB 1835/4885THRA 1917/4885S1PR1 220/4885

“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.