SCHEMBL3547487

SCHEMBL3547487

CCCc1cc(-c2noc3cc(OC)ccc23)ccc1Oc1cccc([C@@]2(C)OC(=O)NC2=O)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C8 P10632 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
PPARD Q03181 2/20 0.43
PPARA Q07869 2/20 0.43
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
PTGER3 P43115 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
FPR1 P21462 1/20 0.33
PGR P06401 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
SCHEMBL3546532 0.91 PPARG (0.46) PPARGCYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL13114528 0.87 PPARG (0.42) PPARGCYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL13114534 0.87 PPARG (0.39) PPARGCYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL3553002 0.85 PPARG (0.38) PPARGCYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL13114569 0.85 PPARG (0.41) PPARGCYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL3550118 0.85 HPGD (0.41) PPARGCYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL3554098 0.83 PTGER3 (0.39) PPARGCYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL3545568 0.82 TLR8 (0.40) PPARGCYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL3545277 0.82 PPARG (0.42) PPARGCYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL5174877 0.82 PPARG (0.47) PPARGCYP3A4CYP2C8CYP2D6CYP2C9

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 7 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-7807692-B2 Antidiabetic oxazolidinediones and thiazolidinediones MERCK SHARP & DOHME CORP. (US) 2010-10-05 US disclosed
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
US-20100168164-A1 Antidiabetic Oxazolidinediones and Thiazolidinediones MERCK SHARP & DOHME CORP. 2010-07-01 US disclosed
US-20100168164-A1 Antidiabetic Oxazolidinediones and Thiazolidinediones MERCK SHARP & DOHME CORP. 2010-07-01 US 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 3/4885CYP3A4 342/4885CYP2C8 428/4885

“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.