SCHEMBL2722267

SCHEMBL2722267

COC(=O)C(C)(C)OCc1cccc(/C=C/Cn2cccc2C(=O)c2ccc(C)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.59
PPARA Q07869 8/20 0.59
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
GHSR Q92847 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL2722270 1.00 PPARG (0.59) PPARGPPARACYP4F2CYP4A11GHSR
SCHEMBL2717563 0.91 PPARG (0.63) PPARGPPARACYP4F2CYP4A11MEN1
SCHEMBL2717561 0.91 PPARG (0.63) PPARGPPARACYP4F2CYP4A11MEN1
SCHEMBL2719917 0.90 PPARG (0.52) PPARGPPARAGHSRNPC1RAB9A
SCHEMBL2978823 0.90 PPARG (0.52) PPARGPPARAGHSRNPC1RAB9A
SCHEMBL2719920 0.90 PPARG (0.52) PPARGPPARAGHSRNPC1RAB9A
SCHEMBL6600231 0.87 PPARG (0.67) PPARGPPARACYP4F2CYP4A11NPC1
SCHEMBL6600223 0.87 PPARG (0.67) PPARGPPARACYP4F2CYP4A11NPC1
SCHEMBL14143467 0.83 PPARG (0.70) PPARGPPARACYP4F2CYP4A11NPC1
SCHEMBL2718448 0.83 PPARG (0.75) PPARGPPARACYP4F2CYP4A11MEN1

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
EP-1647546-B1 NOVEL HETEROARYL DERIVATIVE DAINIPPON SUMITOMO PHARMA CO (JP) 2012-05-02 EP disclosed
US-20080306275-A1 NOVEL HETEROARYL DERIVATIVE DANIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-12-11 US disclosed
US-7425642-B2 Heteroaryl derivative DAINIPPON SUMITOMO PHARMA CO. ,LTD. (JP) 2008-09-16 US disclosed
US-20060194857-A1 Novel heteroaryl derivative DAINIPPON SUMITOMO PHARMA CO. LTD. (JP) 2006-08-31 US disclosed
EP-1647546-A1 NOVEL HETEROARYL DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-04-19 EP 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 (2 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-20060194857-A1 Novel heteroaryl derivative NR0B1, UGT1A10, NR0B2 PPARG 282/4885PPARA 411/4885CYP4F2 97/4885
US-20080306275-A1 NOVEL HETEROARYL DERIVATIVE NR0B1, UGT1A10, NR0B2 PPARG 282/4885PPARA 411/4885CYP4F2 97/4885

“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.