SCHEMBL3545277

SCHEMBL3545277

CCCc1cc(-c2noc3cc(OC)ccc23)ccc1Oc1ccccc1C[C@@]1(C)OC(=O)NC1=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.42
PPARD Q03181 4/20 0.42
PPARA Q07869 3/20 0.42
ESR1 P03372 3/20 0.39
ESR2 Q92731 3/20 0.39
CYP2D6 P10635 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
FPR1 P21462 2/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL13114528 0.89 PPARG (0.42) PPARGPPARDPPARAESR1ESR2
SCHEMBL3547487 0.82 PPARG (0.48) PPARGPPARDPPARAESR1ESR2
SCHEMBL3548104 0.80 PPARG (0.42) PPARGPPARDPPARAESR1ESR2
SCHEMBL6374551 0.77 ESR1 (0.56) PPARGPPARDPPARAESR1ESR2
SCHEMBL3551052 0.76 FGFR2 (0.36) PPARGPPARDPPARA
SCHEMBL3553128 0.74 NR1H2 (0.36) PPARGCYP2D6CYP3A4CYP2C8CYP2C9
SCHEMBL3543482 0.74 HPGD (0.41) CYP2C9CYP2C19RAB9AKDM4EALDH1A1
SCHEMBL3546532 0.73 PPARG (0.46) PPARGPPARDPPARAESR1ESR2
SCHEMBL5175340 0.69 PPARG (0.46) PPARGPPARDPPARAKDM4EALDH1A1
SCHEMBL14459759 0.69 PPARG (0.46) PPARGPPARDPPARAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807692-B2 Antidiabetic oxazolidinediones and thiazolidinediones MERCK SHARP & DOHME CORP. (US) 2010-10-05 US disclosed
US-20100168164-A1 Antidiabetic Oxazolidinediones and Thiazolidinediones MERCK SHARP & DOHME CORP. 2010-07-01 US disclosed
EP-1907381-A4 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES MERCK & CO INC (US) 2009-08-26 EP disclosed
EP-1907381-A1 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES Merck & Co., Inc. (US) 2008-04-09 EP disclosed
WO-2007008501-A1 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES MERCK & CO., INC. (US) 2007-01-18 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 (1 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-20100168164-A1 Antidiabetic Oxazolidinediones and Thiazolidinediones PPARD, PPARA, PPARG PPARG 3/4885PPARD 1/4885PPARA 2/4885

“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.