SCHEMBL13282971

SCHEMBL13282971

CCCc1cc(-c2nn(C)c3cc(O)ccc23)ccc1Oc1cccc([C@@]2(C)OC(=O)NC2=O)c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.34
NR1H2 P55055 4/20 0.34
NR1H3 Q13133 3/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
PPARD Q03181 3/20 0.33
PPARA Q07869 3/20 0.33
ESR1 P03372 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ESR2 Q92731 1/20 0.33
PTGER3 P43115 1/20 0.31

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
SCHEMBL13114535 0.92 NAMPT (0.35) PPARGNR1H2NR1H3CYP3A4CYP2C8
SCHEMBL13114569 0.91 PPARG (0.41) PPARGNR1H2NR1H3CYP3A4CYP2C8
SCHEMBL13282972 0.85 JAK2 (0.40) PPARGPPARDPPARAESR1ESR2
SCHEMBL3545012 0.84 PPARG (0.40) PPARGNR1H2NR1H3PPARDPPARA
SCHEMBL13114536 0.79 NAMPT (0.36) PPARGNR1H2NR1H3PPARDPPARA
SCHEMBL3554183 0.79 NR1H2 (0.35) PPARGNR1H2NR1H3PPARDPPARA
SCHEMBL3553128 0.79 NR1H2 (0.36) PPARGNR1H2NR1H3CYP3A4CYP2C8
SCHEMBL13114534 0.78 PPARG (0.39) PPARGNR1H2NR1H3CYP3A4CYP2C8
SCHEMBL3540909 0.78 PPARG (0.37) PPARGNR1H2NR1H3CYP3A4CYP2C8
SCHEMBL3546532 0.77 PPARG (0.46) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3/4885NR1H2 17/4885NR1H3 42/4885

“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.