SCHEMBL4895046

SCHEMBL4895046

O=C(O)CCc1ccc(OCCOc2ccc3c(-c4ccccc4)coc3c2)cc1CNC(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.47
ITGAV P06756 1/20 0.47
ITGB5 P18084 1/20 0.47
PPARG P37231 8/20 0.46
ALDH2 P05091 7/20 0.46
MAOA P21397 6/20 0.46
MAOB P27338 6/20 0.46
PPARA Q07869 7/20 0.46
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
PIN1 Q13526 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 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
SCHEMBL4895451 0.97 ALDH2 (0.49) ITGB3ITGAVITGB5PPARGALDH2
SCHEMBL4888182 0.89 ITGB3 (0.46) ITGB3ITGAVITGB5PPARGALDH2
SCHEMBL4897391 0.87 ALDH2 (0.46) ITGB3ITGAVITGB5PPARGALDH2
SCHEMBL4896153 0.84 ALDH2 (0.42) ITGB3ITGAVITGB5PPARGALDH2
SCHEMBL4896302 0.84 PPARG (0.61) ITGB3ITGAVITGB5PPARGALDH2
SCHEMBL4896559 0.81 PPARG (0.52) PPARGPPARANPC1RAB9ASMN1; SMN2
SCHEMBL4888272 0.81 PPARG (0.52) PPARGPPARANPC1RAB9ASMN1; SMN2
SCHEMBL4895044 0.80 ALDH2 (0.46) ITGB3ITGAVITGB5PPARGALDH2
SCHEMBL4893180 0.80 PPARG (0.51) PPARGPPARANPC1RAB9ASMN1; SMN2
SCHEMBL4894779 0.79 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 ITGB3 4586/4885ITGAV 4582/4885ITGB5 4471/4885
US-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) PPARG, PPARA, PPARD ITGB3 4586/4885ITGAV 4582/4885ITGB5 4471/4885

“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.