SCHEMBL4899348

SCHEMBL4899348

CC(C)CCOc1c(Br)cc(CC(=O)O)cc1Br

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 15/20 1.00
THRA P10827 14/20 1.00
PPARG P37231 1/20 0.47
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
S1PR1 P21453 1/20 0.42
S1PR5 Q9H228 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL4895853 0.85 THRA (1.00) THRBTHRA
SCHEMBL4898133 0.84 THRB (0.73) THRBTHRAPPARGALOX15TSHR
SCHEMBL4890007 0.81 THRB (1.00) THRBTHRAPPARGHSD17B10S1PR1
SCHEMBL4899221 0.80 THRB (1.00) THRBTHRAPPARGS1PR1S1PR5
SCHEMBL4900725 0.79 THRB (1.00) THRBTHRAS1PR1S1PR5
SCHEMBL4888327 0.76 THRB (1.00) THRBTHRAPPARGALOX15TSHR
SCHEMBL7220499 0.75 THRB (0.69) THRBTHRAPPARGALOX15TSHR
SCHEMBL4896480 0.75 THRB (0.64) THRBTHRAPPARGALOX15TSHR
SCHEMBL3901613 0.73 MAPK1 (0.66) THRBTHRAALOX15TSHRHSD17B10
SCHEMBL4900684 0.72 THRB (0.80) THRBTHRAPPARGTSHRHSD17B10

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 559/4885PPARG 109/4885

“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.