SCHEMBL3603036

SCHEMBL3603036

CCCc1cc(-c2nccc3cc(OC)ccc23)ccc1Oc1cccc([C@]2(C)CNCO2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SREBF2 Q12772 2/20 0.34
TRPA1 O75762 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
PPARG P37231 4/20 0.33
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
AURKA O14965 5/20 0.32
KDR P35968 5/20 0.32
TEK Q02763 5/20 0.32
MET P08581 4/20 0.32
AURKB Q96GD4 2/20 0.32
SCN9A Q15858 2/20 0.32
LCK P06239 2/20 0.31
FPR1 P21462 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
SCHEMBL3553002 0.82 PPARG (0.38) SREBF2TRPA1NR1H2NR1H3PPARG
SCHEMBL13283071 0.70 NR1H2 (0.33) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL3554098 0.69 PTGER3 (0.39) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL3545568 0.68 TLR8 (0.40) NR1H2NR1H3PPARGKDM4EALDH1A1
SCHEMBL14625118 0.68 PPARG (0.43) SREBF2PPARGKDM4EALDH1A1GAA
SCHEMBL3547487 0.67 PPARG (0.48) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL13114569 0.66 PPARG (0.41) NR1H2NR1H3PPARGKDM4EHPGD
SCHEMBL3550118 0.64 HPGD (0.41) PPARGKDM4EALDH1A1GAAHPGD
SCHEMBL3551052 0.63 FGFR2 (0.36) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL13114528 0.62 PPARG (0.42) NR1H2NR1H3PPARGPPARDPPARA

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 SREBF2 49/4885TRPA1 3320/4885NR1H2 17/4885

“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.