SCHEMBL3548517

SCHEMBL3548517

CCCc1cc(C(=O)c2ccc(OC)cc2)ccc1Oc1cccc(C[C@@]2(C)OC(=O)NC2=O)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.40
PPARD Q03181 2/20 0.40
PPARA Q07869 2/20 0.40
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
NR1H2 P55055 2/20 0.37
NR1H3 Q13133 2/20 0.37
ASAH1 Q13510 1/20 0.36
FPR1 P21462 2/20 0.35
CYP2C9 P11712 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
STS P08842 1/20 0.35
MTNR1B P49286 2/20 0.35
NPC1 O15118 1/20 0.35
CYP19A1 P11511 1/20 0.35
MTNR1A P48039 1/20 0.35

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
SCHEMBL3548216 0.90 LMNA (0.38) PPARGPPARDPPARAALDH1A1NR1H2
SCHEMBL3550873 0.90 LPAR1 (0.39) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL5175340 0.89 PPARG (0.46) PPARGPPARDPPARAALDH1A1NR1H2
SCHEMBL14459759 0.89 PPARG (0.46) PPARGPPARDPPARAALDH1A1NR1H2
SCHEMBL3552987 0.85 PPARG (0.41) PPARGPPARDPPARAALDH1A1GAA
SCHEMBL3547512 0.85 PPARG (0.41) PPARGPPARDPPARAALDH1A1GAA
SCHEMBL3547959 0.84 PPARG (0.40) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL3659688 0.84 PPARG (0.40) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL3659685 0.84 PPARG (0.40) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL3544113 0.83 PPARG (0.39) PPARGPPARDPPARANR1H2NR1H3

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 2 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

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.