SCHEMBL4896778

SCHEMBL4896778

CCCCCCCOc1c(C)cc(CC(=O)O)cc1C

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 7/20 0.71
THRA P10827 6/20 0.71
S1PR2 O95136 2/20 0.55
S1PR1 P21453 2/20 0.55
S1PR3 Q99500 2/20 0.55
LPAR2 Q9HBW0 2/20 0.55
PLA2G4B P0C869 2/20 0.52
PTPN11 Q06124 4/20 0.50
PTPN1 P18031 1/20 0.50
PTPN6 P29350 1/20 0.50
PLA2G2A P14555 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL4890901 0.94 THRB (0.69) THRBTHRAS1PR2S1PR1S1PR3
SCHEMBL21475283 0.85 THRB (0.59) THRBTHRAS1PR2S1PR1S1PR3
SCHEMBL15270918 0.84 THRB (0.71) THRBTHRAPLA2G4BPTPN11PTPN1
SCHEMBL12215167 0.84 THRB (0.71) THRBTHRAPLA2G4BPTPN11PTPN1
SCHEMBL10141534 0.84 THRA (0.58) THRBTHRAS1PR2S1PR1S1PR3
SCHEMBL4900725 0.83 THRB (1.00) THRBTHRAS1PR2S1PR1S1PR3
SCHEMBL3263906 0.82 THRA (0.57) THRBTHRAS1PR2S1PR1S1PR3
SCHEMBL4899221 0.81 THRB (1.00) THRBTHRAS1PR2S1PR1S1PR3
SCHEMBL2358713 0.81 PLA2G2A (0.66) THRBTHRAPLA2G4BPLA2G2A
SCHEMBL12215169 0.81 THRA (0.66) THRBTHRAPLA2G4BPTPN11PTPN1

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 559/4885S1PR2 328/4885

“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.