SCHEMBL6516005

SCHEMBL6516005

O=C(O)Cc1cc(Cl)c(Oc2ccc3[nH]cc(CC4CCCCC4)c3c2)c(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 13/20 0.56
THRA P10827 11/20 0.56
S1PR1 P21453 2/20 0.43
KDM4E B2RXH2 1/20 0.41
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39

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
SCHEMBL6518665 0.99 THRB (0.57) THRBTHRAS1PR1KDM4E
SCHEMBL6511275 0.97 THRB (0.57) THRBTHRAS1PR1KDM4E
SCHEMBL6516639 0.96 THRB (0.59) THRBTHRAS1PR1KDM4E
SCHEMBL6519176 0.94 THRB (0.64) THRBTHRAS1PR1KDM4EHTR1A
SCHEMBL6518573 0.93 THRB (0.65) THRBTHRAS1PR1KDM4EHTR1A
SCHEMBL6513913 0.91 THRA (0.65) THRBTHRAS1PR1KDM4EHTR1A
SCHEMBL6516198 0.91 THRB (0.56) THRBTHRAKDM4EHTR1AHTR1D
SCHEMBL6516513 0.90 THRB (0.54) THRBTHRAKDM4E
SCHEMBL6516025 0.90 THRB (0.56) THRBTHRAS1PR1KDM4EHTR1A
SCHEMBL6515834 0.90 THRB (0.59) 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.