SCHEMBL4895878

SCHEMBL4895878

CCCCCCOc1c(Br)cc(CCC(=O)O)cc1Br

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 19/20 1.00
THRA P10827 18/20 1.00
ESR1 P03372 1/20 0.53
NR3C1 P04150 1/20 0.53
PGR P06401 1/20 0.53
NR3C2 P08235 1/20 0.53
AR P10275 1/20 0.53
S1PR2 O95136 1/20 0.51
S1PR1 P21453 1/20 0.51
S1PR3 Q99500 1/20 0.51
LPAR2 Q9HBW0 1/20 0.51

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
SCHEMBL4898278 0.99 THRB (0.97) THRBTHRAESR1NR3C1PGR
SCHEMBL4900725 0.85 THRB (1.00) THRBTHRAS1PR2S1PR1S1PR3
SCHEMBL20527124 0.84 THRA (0.72) THRBTHRA
SCHEMBL4899221 0.84 THRB (1.00) THRBTHRAS1PR2S1PR1S1PR3
SCHEMBL1066946 0.83 THRA (0.71) THRBTHRAS1PR1S1PR3
SCHEMBL4895853 0.80 THRA (1.00) THRBTHRAESR1NR3C1PGR
SCHEMBL4890007 0.79 THRB (1.00) THRBTHRAS1PR2S1PR1S1PR3
SCHEMBL4894303 0.79 THRB (0.65) THRBTHRAESR1NR3C1PGR
SCHEMBL4900338 0.78 THRA (0.68) THRBTHRAESR1NR3C1PGR
SCHEMBL19193897 0.78 THRA (0.63) THRBTHRA

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-20080027096-A1 Novel Pharmaceutical Compositions KARO BIO AB (SE) 2008-01-31 US disclosed
EP-1729756-A2 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2006-12-13 EP disclosed
WO-2005094810-A2 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2005-10-13 WO 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-20080027096-A1 Novel Pharmaceutical Compositions AR, NR5A1, CYP17A1 THRB 792/4885THRA 559/4885ESR1 58/4885

“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.