SCHEMBL4890901

SCHEMBL4890901

CCCCOc1c(C)cc(CC(=O)O)cc1C

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 8/20 0.69
THRA P10827 7/20 0.69
S1PR2 O95136 1/20 0.48
S1PR1 P21453 1/20 0.48
S1PR3 Q99500 1/20 0.48
LPAR2 Q9HBW0 1/20 0.48
PLA2G4B P0C869 2/20 0.48
ALDH1A1 P00352 4/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PTPN11 Q06124 2/20 0.44
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 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
SCHEMBL4896778 0.94 THRB (0.71) THRBTHRAS1PR2S1PR1S1PR3
SCHEMBL21475283 0.91 THRB (0.59) THRBTHRAS1PR2S1PR1S1PR3
SCHEMBL13062425 0.82 THRB (0.68) THRBTHRAPLA2G4BALDH1A1HPGD
SCHEMBL4890007 0.82 THRB (1.00) THRBTHRAS1PR2S1PR1S1PR3
SCHEMBL4892271 0.80 THRB (0.64) THRBTHRAPLA2G4BALDH1A1HPGD
SCHEMBL1749419 0.79 THRA (0.56) THRBTHRAPLA2G4B
Oxalic Acid SCHEMBL2374241 0.79 KDM4E (0.55) THRBTHRAALDH1A1KDM4EMEN1
SCHEMBL14097975 0.79 THRB (0.64) THRBTHRAPLA2G4BALDH1A1HPGD
SCHEMBL20925657 0.79 THRB (0.46) THRBTHRAS1PR2S1PR1S1PR3
SCHEMBL3263906 0.78 THRA (0.57) THRBTHRAS1PR2S1PR1S1PR3

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.