SCHEMBL4900684

SCHEMBL4900684

CCCCC(CC)COc1c(Br)cc(CC(=O)O)cc1Br

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 13/20 0.80
THRA P10827 12/20 0.80
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 3/20 0.42
CA2 P00918 1/20 0.42
PPARG P37231 1/20 0.41
MAPK1 P28482 2/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL4888327 0.89 THRB (1.00) THRBTHRAPPARGTSHRHSD17B10
SCHEMBL4890007 0.81 THRB (1.00) THRBTHRAALDH1A1PPARGHSD17B10
SCHEMBL4899221 0.79 THRB (1.00) THRBTHRAALDH1A1PPARG
SCHEMBL4900725 0.78 THRB (1.00) THRBTHRA
SCHEMBL4898133 0.78 THRB (0.73) THRBTHRAPPARGTSHRHSD17B10
SCHEMBL23167605 0.77 PLA2G4B (0.54) THRBTHRAALDH1A1CYP3A4CA2
SCHEMBL4887778 0.76 THRB (1.00) THRBTHRA
SCHEMBL15602736 0.72 PLA2G4B (0.49) THRBTHRAALDH1A1CYP3A4CA2
SCHEMBL6702817 0.72 ALDH1A1 (0.51) THRBTHRAALDH1A1CYP3A4CA2
SCHEMBL4899348 0.72 THRB (1.00) THRBTHRAPPARGMAPK1TSHR

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 559/4885ALDH1A1 962/4885

“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.