SCHEMBL4889995

SCHEMBL4889995

O=C(O)CCc1cc(Br)c(OCc2ccccc2-c2ccccc2)c(Br)c1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 8/20 0.72
THRB P10828 8/20 0.72
FFAR1 O14842 11/20 0.65
FFAR4 Q5NUL3 11/20 0.65
ESR1 P03372 1/20 0.60
NR3C1 P04150 1/20 0.60
PGR P06401 1/20 0.60
NR3C2 P08235 1/20 0.60
AR P10275 1/20 0.60
PTGER1 P34995 1/20 0.57
PTGER4 P35408 1/20 0.57
PTGER3 P43115 1/20 0.57
PTGER2 P43116 1/20 0.57

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
SCHEMBL2347446 0.86 FFAR4 (0.67) THRATHRBFFAR1FFAR4PTGER1
SCHEMBL4887009 0.85 THRA (0.75) THRATHRBFFAR1FFAR4ESR1
SCHEMBL4892311 0.84 THRA (1.00) THRATHRBFFAR1FFAR4ESR1
SCHEMBL4896380 0.84 THRB (0.73) THRATHRBFFAR1FFAR4ESR1
SCHEMBL6725149 0.82 THRA (0.47) THRATHRBFFAR1FFAR4PTGER1
SCHEMBL4898411 0.81 THRA (0.70) THRATHRBFFAR1FFAR4ESR1
SCHEMBL4900710 0.81 THRA (0.69) THRATHRBFFAR1FFAR4ESR1
SCHEMBL4899365 0.80 THRA (0.67) THRATHRBFFAR1FFAR4ESR1
SCHEMBL1745638 0.79 FFAR1 (1.00) FFAR1FFAR4PTGER1PTGER4PTGER3
SCHEMBL4890896 0.79 THRA (0.66) THRATHRBFFAR1FFAR4ESR1

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 792/4885FFAR1 43/4885

“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.