SCHEMBL4890677

SCHEMBL4890677

CC(C)(C)OC(=O)CCc1ccc(O)cc1CNC(=O)OCC1CC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.37
EGFR P00533 2/20 0.36
ALDH1A1 P00352 1/20 0.33
EPHX2 P34913 1/20 0.32
ACACB O00763 2/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
PTGIR P43119 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
ACACA Q13085 1/20 0.31

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
SCHEMBL4898194 0.83 CACNA1B (0.37) NQO2EGFRALDH1A1EPHX2
SCHEMBL4885973 0.83 CACNA1B (0.39) NQO2EGFRALDH1A1EPHX2
SCHEMBL4894666 0.83 NQO2 (0.38) NQO2EGFRALDH1A1
SCHEMBL4897312 0.81 HPGD (0.45) EGFRALDH1A1EPHX2
SCHEMBL3692384 0.81 PPARG (0.41) NQO2EGFRPPARGPPARA
SCHEMBL4898444 0.80 NQO2 (0.47) NQO2EGFRALDH1A1
SCHEMBL14369969 0.78 EGFR (0.43) NQO2EGFR
SCHEMBL4893266 0.76 NQO2 (0.39) NQO2EGFRPPARGPPARA
SCHEMBL4892006 0.76 EPHX2 (0.45) ALDH1A1EPHX2
SCHEMBL4894702 0.76 EGFR (0.38) NQO2EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) GOSSETT LYNN STACY 2008-07-10 US disclosed
US-7282501-B2 Modulators of peroxisome proliferator activated receptors (PPAR) ELI LILLY AND COMPANY (US) 2007-10-16 US disclosed
EP-1401434-B1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) LILLY CO ELI (US) 2006-11-15 EP disclosed
US-20050075378-A1 Modulators of peroxisome proliferator activated receptors (ppar) ELI LILLY AND COMPANY 2005-04-07 US disclosed
EP-1401434-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) ELI LILLY AND COMPANY (US) 2004-03-31 EP disclosed
WO-2002100403-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) ELI LILLY AND COMPANY (US) 2002-12-19 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-20050075378-A1 Modulators of peroxisome proliferator activated receptors (ppar) PPARG, PPARA, PPARD NQO2 3173/4885EGFR 2276/4885ALDH1A1 1363/4885
US-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) PPARG, PPARA, PPARD NQO2 3173/4885EGFR 2276/4885ALDH1A1 1363/4885

“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.