SCHEMBL5395103

SCHEMBL5395103

COc1cccc(C(=O)Nc2ccc(OCCCOc3ccc(C[C@H](OC)C(=O)O)cc3)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.62
PPARD Q03181 5/20 0.62
PPARA Q07869 5/20 0.62
MEN1 O00255 6/20 0.57
KMT2A Q03164 6/20 0.57
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
TP53 P04637 3/20 0.54
KDM4E B2RXH2 1/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
PKM P14618 2/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.53
AR P10275 1/20 0.53
KCNK3 O14649 1/20 0.51

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
SCHEMBL5381113 0.90 PPARG (0.62) PPARGPPARDPPARAMEN1KMT2A
SCHEMBL5383401 0.89 PPARG (0.61) PPARGPPARDPPARAMEN1KMT2A
SCHEMBL5385227 0.89 PPARG (0.65) PPARGPPARDPPARANPC1RAB9A
SCHEMBL5400388 0.85 PPARG (0.81) PPARGPPARDPPARAMEN1KMT2A
SCHEMBL5391196 0.85 PPARG (0.75) PPARGPPARDPPARATSHRALDH1A1
SCHEMBL5380006 0.83 PPARG (0.72) PPARGPPARDPPARAKMT2ARAB9A
SCHEMBL5380001 0.83 PPARG (0.72) PPARGPPARDPPARAKMT2ARAB9A
SCHEMBL6529018 0.82 PPARG (0.62) PPARGPPARDPPARAMEN1KMT2A
SCHEMBL5395118 0.82 PPARG (0.62) PPARGPPARDPPARAMEN1KMT2A
SCHEMBL5374720 0.82 PPARG (0.62) PPARGPPARDPPARAMEN1KMT2A

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.