SCHEMBL4895451

SCHEMBL4895451

O=C(O)CCc1ccc(OCCCCOc2ccc3c(-c4ccccc4)coc3c2)cc1CNC(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 11/20 0.49
MAOA P21397 8/20 0.49
MAOB P27338 8/20 0.49
ITGB3 P05106 1/20 0.47
ITGAV P06756 1/20 0.47
ITGB5 P18084 1/20 0.47
PPARG P37231 6/20 0.46
PPARA Q07869 5/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
PIN1 Q13526 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
SCHEMBL4895046 0.97 ITGB3 (0.47) ALDH2MAOAMAOBITGB3ITGAV
SCHEMBL4897391 0.89 ALDH2 (0.46) ALDH2MAOAMAOBITGB3ITGAV
SCHEMBL4896302 0.86 PPARG (0.61) ALDH2MAOAMAOBITGB3ITGAV
SCHEMBL4888182 0.86 ITGB3 (0.46) ALDH2MAOAMAOBITGB3ITGAV
SCHEMBL4896153 0.85 ALDH2 (0.42) ALDH2MAOAMAOBITGB3ITGAV
SCHEMBL4896559 0.84 PPARG (0.52) PPARGPPARA
SCHEMBL4894779 0.82 FFAR4 (0.50) PPARGPPARA
SCHEMBL4888272 0.82 PPARG (0.52) PPARGPPARA
SCHEMBL4895448 0.81 ALDH2 (0.49) ALDH2MAOAMAOBITGB3ITGAV
SCHEMBL4885499 0.80 FFAR4 (0.50) PPARGPPARA

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 10 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
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 ALDH2 596/4885MAOA 4352/4885MAOB 4077/4885
US-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) PPARG, PPARA, PPARD ALDH2 596/4885MAOA 4352/4885MAOB 4077/4885

“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.