SCHEMBL6516494

SCHEMBL6516494

O=C(O)COc1cc(Br)c(Oc2ccc3[nH]cc(CC4CCCC4)c3c2)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRA P10827 6/20 0.46
THRB P10828 6/20 0.46
S1PR1 P21453 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HTR1A P08908 5/20 0.39
HTR1B P28222 5/20 0.39
HTR1D P28221 3/20 0.39
SLC6A4 P31645 1/20 0.37
BCHE P06276 1/20 0.36
MTNR1A P48039 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
SCHEMBL6522125 0.99 THRA (0.45) THRATHRBS1PR1KDM4EHTR1A
SCHEMBL6517223 0.98 THRA (0.46) THRATHRBS1PR1KDM4EHTR1A
SCHEMBL6516094 0.97 THRA (0.47) THRATHRBS1PR1KDM4EHTR1A
SCHEMBL6512941 0.94 THRA (0.52) THRATHRBS1PR1KDM4EHTR1A
SCHEMBL6515493 0.93 THRA (0.51) THRATHRBS1PR1KDM4EHTR1A
SCHEMBL6512502 0.92 THRA (0.52) THRATHRBS1PR1KDM4EHTR1A
SCHEMBL6512563 0.91 KDM4E (0.44) THRATHRBKDM4EHTR1AHTR1B
SCHEMBL6514037 0.90 THRA (0.53) THRATHRBS1PR1KDM4EHTR1A
SCHEMBL6515965 0.90 KDM4E (0.43) THRATHRBKDM4EHTR1AHTR1B
SCHEMBL6519233 0.90 THRA (0.46) THRATHRBS1PR1KDM4EHTR1A

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