SCHEMBL4896418

SCHEMBL4896418

O=C(O)CCc1cc(Br)c(OCc2cccc(C(F)(F)F)c2)c(Br)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRA P10827 10/20 1.00
THRB P10828 10/20 1.00
ESR1 P03372 1/20 0.72
NR3C1 P04150 1/20 0.72
PGR P06401 1/20 0.72
NR3C2 P08235 1/20 0.72
AR P10275 1/20 0.72
FFAR4 Q5NUL3 4/20 0.69
FFAR1 O14842 3/20 0.69
NR4A2 P43354 2/20 0.53
PDGFRA P16234 1/20 0.49
S1PR1 P21453 1/20 0.49
S1PR5 Q9H228 1/20 0.49
MAOB P27338 2/20 0.49
MRGPRX4 Q96LA9 1/20 0.49

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
SCHEMBL4895281 0.88 THRA (0.78) THRATHRBESR1NR3C1PGR
SCHEMBL4896762 0.86 THRA (0.76) THRATHRBESR1NR3C1PGR
SCHEMBL4898968 0.84 THRA (0.77) THRATHRBESR1NR3C1PGR
SCHEMBL4896316 0.84 THRA (0.72) THRATHRBESR1NR3C1PGR
SCHEMBL4898980 0.84 THRA (1.00) THRATHRBESR1NR3C1PGR
SCHEMBL5072110 0.84 THRA (0.81) THRATHRBESR1NR3C1PGR
SCHEMBL4895362 0.83 THRA (0.71) THRATHRBESR1NR3C1PGR
SCHEMBL4896873 0.83 THRA (1.00) THRATHRBESR1NR3C1PGR
SCHEMBL4931397 0.82 THRA (0.70) THRATHRBESR1NR3C1PGR
SCHEMBL4898421 0.81 THRA (0.77) THRATHRBESR1NR3C1PGR

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 THRA 559/4885THRB 792/4885ESR1 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.