SCHEMBL4183281

SCHEMBL4183281

COC(=O)Cc1ccc(C2CC2)c(O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.55
ALDH1A1 P00352 2/20 0.55
GFER P55789 1/20 0.55
HSP90AB1 P08238 1/20 0.47
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
MAPT P10636 2/20 0.45
TSHR P16473 2/20 0.45
HPGD P15428 2/20 0.45
SLC7A5 Q01650 1/20 0.43
NFKB1 P19838 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
LDHA P00338 1/20 0.42
YWHAG P61981 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TYR P14679 1/20 0.40
MMP9 P14780 1/20 0.40
PTGDR Q13258 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
EPHX2 P34913 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
SCHEMBL4189350 0.85 ALOX5 (0.47) GAAALDH1A1GFEREPHX2
SCHEMBL21807162 0.81 ALDH1A1 (0.47) GAAALDH1A1GFERCYP4F2CYP4A11
SCHEMBL3668882 0.79 GAA (0.72) GAAALDH1A1GFERHSP90AB1CYP4F2
SCHEMBL29446278 0.79 GAA (0.72) GAAALDH1A1GFERHSP90AB1CYP4F2
SCHEMBL31284885 0.78 GAA (0.44) GAAALDH1A1GFERHSP90AB1CYP4F2
SCHEMBL11567034 0.77 PTGDR (0.52) GAAALDH1A1GFERHSP90AB1CYP4F2
Methyl Alcohol SCHEMBL27946196 0.77 GAA (0.70) GAAALDH1A1GFERHSP90AB1CYP4F2
SCHEMBL17080063 0.77 SLC7A5 (0.50) GAAALDH1A1GFERHSP90AB1CYP4F2
SCHEMBL4183160 0.76 DRD2 (0.47) GAAALDH1A1GFERHSP90AB1CYP4F2
SCHEMBL27721931 0.76 CYP3A4 (0.50) ALDH1A1TYR

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-07-30 US disclosed
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-07-30 US disclosed
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-07-30 US disclosed
US-20080292608-A1 Compounds and Compositions as Ppar Modulators IRM LLC (BM) 2008-11-27 US disclosed
US-20080292608-A1 Compounds and Compositions as Ppar Modulators IRM LLC (BM) 2008-11-27 US disclosed
US-20080292608-A1 Compounds and Compositions as Ppar Modulators IRM LLC (BM) 2008-11-27 US disclosed
EP-1945633-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2008-07-23 EP disclosed
EP-1945620-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2008-07-23 EP disclosed
WO-2007056366-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-05-18 WO disclosed
WO-2007056497-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-05-18 WO disclosed
WO-2007056497-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-05-18 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 (2 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-20080292608-A1 Compounds and Compositions as Ppar Modulators PPARG, PPARA, PPARD GAA 995/4885ALDH1A1 1696/4885GFER 2993/4885
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS PPARG, PPARA, PPARD GAA 995/4885ALDH1A1 1696/4885GFER 2993/4885

“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.