SCHEMBL4895874

SCHEMBL4895874

COC(=O)CCc1cc(Br)c(OCc2ccccc2I)c(Br)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 13/20 0.59
THRB P10828 13/20 0.59
ESR1 P03372 1/20 0.46
NR3C1 P04150 1/20 0.46
PGR P06401 1/20 0.46
NR3C2 P08235 1/20 0.46
AR P10275 1/20 0.46
FFAR4 Q5NUL3 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
FFAR1 O14842 2/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
ALOX12 P18054 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL14281443 0.84 THRB (0.75) THRATHRBESR1NR3C1PGR
SCHEMBL4413571 0.76 TSHR (0.49) CYP1A2CYP2D6CYP2C19ALDH1A1MAPT
SCHEMBL3686000 0.75 THRB (0.62) THRATHRBESR1NR3C1PGR
SCHEMBL6731598 0.75 THRA (0.56) THRATHRBESR1NR3C1PGR
SCHEMBL4892311 0.74 THRA (1.00) THRATHRBESR1NR3C1PGR
SCHEMBL4887009 0.73 THRA (0.75) THRATHRBESR1NR3C1PGR
SCHEMBL4896380 0.72 THRB (0.73) THRATHRBESR1NR3C1PGR
SCHEMBL4889995 0.71 THRA (0.72) THRATHRBESR1NR3C1PGR
SCHEMBL3684723 0.70 THRB (0.55) THRATHRBESR1NR3C1PGR
SCHEMBL4931352 0.70 THRA (0.64) 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.