SCHEMBL6513360

SCHEMBL6513360

O=C(O)COc1cc(Cl)c(Oc2ccc3[nH]cc(CC4CCCCC4)c3c2)c(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 8/20 0.45
THRA P10827 7/20 0.45
S1PR1 P21453 2/20 0.41
HTR1A P08908 2/20 0.40
HTR1D P28221 2/20 0.40
HTR1B P28222 2/20 0.40
BCHE P06276 1/20 0.37
HTR6 P50406 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL6519233 0.99 THRA (0.46) THRBTHRAS1PR1HTR1AHTR1D
SCHEMBL6514142 0.97 THRA (0.46) THRBTHRAS1PR1HTR1AHTR1D
SCHEMBL6516617 0.96 THRA (0.47) THRBTHRAS1PR1HTR1AHTR1D
SCHEMBL6515493 0.94 THRA (0.51) THRBTHRAS1PR1HTR1AHTR1D
SCHEMBL6512941 0.93 THRA (0.52) THRBTHRAS1PR1HTR1AHTR1D
SCHEMBL6512502 0.91 THRA (0.52) THRBTHRAS1PR1HTR1AHTR1D
SCHEMBL6512156 0.91 THRB (0.43) THRBTHRAHTR1AHTR1DHTR1B
SCHEMBL6512856 0.90 THRB (0.42) THRBTHRAHTR1AHTR1DHTR1B
SCHEMBL6513907 0.90 THRA (0.47) THRBTHRAS1PR1HTR1AHTR1D
SCHEMBL6522125 0.90 THRA (0.45) THRBTHRAS1PR1HTR1AHTR1D

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050032874-A1 Anticholesterol agents; arteriosclerosis BAYER AKTIENGESELLSCHAFT (DE) 2005-02-10 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 (1 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-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.