SCHEMBL4896302

SCHEMBL4896302

CC(C)OC(=O)NCc1cc(OCCCCOc2ccc3c(-c4ccccc4)coc3c2)ccc1CCC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.61
PPARA Q07869 9/20 0.61
ALDH2 P05091 7/20 0.47
MAOA P21397 6/20 0.47
MAOB P27338 6/20 0.47
ITGB3 P05106 1/20 0.46
ITGAV P06756 1/20 0.46
ITGB5 P18084 1/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
MAPK1 P28482 1/20 0.43
STAT1 P42224 1/20 0.43
CASP3 P42574 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL4895451 0.86 ALDH2 (0.49) PPARGPPARAALDH2MAOAMAOB
SCHEMBL4895046 0.84 ITGB3 (0.47) PPARGPPARAALDH2MAOAMAOB
SCHEMBL4896415 0.83 PPARG (0.72) PPARGPPARAMAPTHDAC6
SCHEMBL4897391 0.83 ALDH2 (0.46) PPARGPPARAALDH2MAOAMAOB
SCHEMBL4896297 0.83 ALDH2 (0.47) PPARGPPARAALDH2MAOAMAOB
SCHEMBL4885651 0.82 PPARG (0.73) PPARGPPARAMAPT
SCHEMBL4888126 0.82 PPARG (0.68) PPARGPPARA
SCHEMBL4894729 0.81 PPARG (0.70) PPARGPPARA
SCHEMBL5728981 0.81 MAPT (0.44) PPARGPPARAALDH2MAOAMAOB
SCHEMBL4888182 0.80 ITGB3 (0.46) PPARGPPARAALDH2MAOAMAOB

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 7 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-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) GOSSETT LYNN STACY 2008-07-10 US disclosed
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
US-7282501-B2 Modulators of peroxisome proliferator activated receptors (PPAR) ELI LILLY AND COMPANY (US) 2007-10-16 US disclosed
US-7282501-B2 Modulators of peroxisome proliferator activated receptors (PPAR) ELI LILLY AND COMPANY (US) 2007-10-16 US disclosed
US-20050075378-A1 Modulators of peroxisome proliferator activated receptors (ppar) ELI LILLY AND COMPANY 2005-04-07 US 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 PPARG 1/4885PPARA 2/4885ALDH2 596/4885
US-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) PPARG, PPARA, PPARD PPARG 1/4885PPARA 2/4885ALDH2 596/4885

“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.