SCHEMBL4189350

SCHEMBL4189350

COC(=O)CCc1ccc(C2CC2)c(O)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
OR51E2 Q9H255 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
APP P05067 2/20 0.46
IAPP P10997 2/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
EPHX2 P34913 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NUDT1 P36639 1/20 0.40
BACE1 P56817 1/20 0.40
PTPN1 P18031 2/20 0.40
CYP19A1 P11511 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
GFER P55789 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
SCHEMBL4183281 0.85 GAA (0.55) EPHX2ALDH1A1GAAGFER
SCHEMBL10503367 0.83 NUDT1 (0.62) ALOX5OR51E2HRH3APPMEN1
SCHEMBL3274537 0.80 APP (0.68) ALOX5OR51E2APPIAPPCYP19A1
SCHEMBL27972225 0.77 APP (0.51) ALOX5OR51E2APPIAPPSIRT2
SCHEMBL4187386 0.77 ALDH1A1 (0.39) ALDH1A1GAA
SCHEMBL27568906 0.77 TYR (0.44) MEN1KMT2A
SCHEMBL27721744 0.77 CYP1A2 (0.49) HRH3
SCHEMBL4191181 0.76 NPSR1 (0.39) HRH3ALDH1A1
SCHEMBL23582361 0.76 GAA (0.54) ALOX5OR51E2APPIAPPSIRT2
Dihydroferulic Acid Methyl Ester SCHEMBL490876 0.76 ALOX5 (0.77) ALOX5OR51E2PTPN1ALDH1A1GAA

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 12 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-1945620-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2008-07-23 EP disclosed
EP-1945633-A1 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-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 ALOX5 474/4885OR51E2 3969/4885HRH3 4122/4885
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS PPARG, PPARA, PPARD ALOX5 474/4885OR51E2 3969/4885HRH3 4122/4885

“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.