SCHEMBL5385227

SCHEMBL5385227

COc1ccc(C(=O)Nc2ccc(OCCCOc3ccc(C[C@H](OC)C(=O)O)cc3)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.65
PPARD Q03181 8/20 0.65
PPARA Q07869 8/20 0.65
NPC1 O15118 5/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
CYP1A2 P05177 1/20 0.57
RAB9A P51151 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
TP53 P04637 1/20 0.56
ALOX15 P16050 1/20 0.56
MCHR1 Q99705 1/20 0.53
POLB P06746 1/20 0.49
LMNA P02545 2/20 0.48
MAPT P10636 1/20 0.48
STAT3 P40763 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48

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
SCHEMBL5374720 0.91 PPARG (0.62) PPARGPPARDPPARANPC1KDM4E
SCHEMBL5395118 0.91 PPARG (0.62) PPARGPPARDPPARANPC1KDM4E
SCHEMBL6529018 0.91 PPARG (0.62) PPARGPPARDPPARANPC1KDM4E
SCHEMBL5395103 0.89 PPARG (0.62) PPARGPPARDPPARANPC1KDM4E
SCHEMBL5381113 0.84 PPARG (0.62) PPARGPPARDPPARANPC1KDM4E
SCHEMBL5383401 0.83 PPARG (0.61) PPARGPPARDPPARANPC1RAB9A
SCHEMBL5385907 0.83 PPARG (0.62) PPARGPPARDPPARANPC1ALDH1A1
SCHEMBL5383883 0.83 PPARA (0.84) PPARGPPARDPPARA
SCHEMBL5383887 0.83 PPARA (0.84) PPARGPPARDPPARA
SCHEMBL27674846 0.83 PPARA (0.84) PPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors BROOKS DAWN A 2007-11-29 US disclosed
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors BROOKS DAWN A 2007-11-29 US disclosed
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors BROOKS DAWN A 2007-11-29 US disclosed
US-7192982-B2 Modulators of peroxisome proliferator activated receptors LIGAND PHARMACEUTICALS, INC. (US) 2007-03-20 US disclosed
US-7192982-B2 Modulators of peroxisome proliferator activated receptors LIGAND PHARMACEUTICALS, INC. (US) 2007-03-20 US disclosed
US-7192982-B2 Modulators of peroxisome proliferator activated receptors LIGAND PHARMACEUTICALS, INC. (US) 2007-03-20 US disclosed
US-20050020684-A1 Modulators of peroxisome proliferator activated receptors ELI LILLY AND COMPANY 2005-01-27 US disclosed
EP-1392637-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ELI LILLY AND COMPANY (US) 2004-03-03 EP disclosed
WO-2002100813-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS 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-20050020684-A1 Modulators of peroxisome proliferator activated receptors NCOA4, PPARG, PPARA PPARG 2/4885PPARD 7/4885PPARA 3/4885
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors PPARG, NCOA4, PPARA PPARG 1/4885PPARD 4/4885PPARA 3/4885

“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.