SCHEMBL359778

SCHEMBL359778

O=C(O)C(CCc1ccccc1)OC(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.51
PPARA Q07869 7/20 0.51
KLK7 P49862 4/20 0.49
CNR1 P21554 1/20 0.44
ACP3 P15309 1/20 0.44
ACE P12821 1/20 0.43
SRR Q9GZT4 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42

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
SCHEMBL359777 1.00 PPARG (0.51) PPARGPPARAKLK7CNR1ACP3
SCHEMBL9554385 0.84 SRR (0.57) PPARGPPARAKLK7ACESRR
SCHEMBL359759 0.83 KLK7 (0.57) PPARGPPARAKLK7CHRM2CHRM4
SCHEMBL359760 0.83 KLK7 (0.57) PPARGPPARAKLK7CHRM2CHRM4
SCHEMBL360673 0.80 KLK7 (0.59) PPARGKLK7CHRM2CHRM4CHRM1
SCHEMBL360674 0.80 KLK7 (0.59) PPARGKLK7CHRM2CHRM4CHRM1
SCHEMBL360653 0.79 KLK7 (0.68) KLK7CHRM2CHRM4CHRM1CHRM3
SCHEMBL360652 0.79 KLK7 (0.68) KLK7CHRM2CHRM4CHRM1CHRM3
SCHEMBL7344014 0.79 PPARG (0.55) PPARGPPARAACESRR
SCHEMBL7344016 0.79 PPARG (0.55) PPARGPPARAACESRR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2407447-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2-HYDROXY ESTER TOKYO UNIV OF SCIENCE EDUCATIONAL FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2018-04-18 EP disclosed
US-8552215-B2 Method for producing optically active 2-hydroxy ester and novel intermediate compound TOKYO UNIVERSITY OF SCIENCE EDUCATIONAL FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2013-10-08 US disclosed
EP-2407447-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2-HYDROXY ESTER AND NOVEL INTERMEDIATE COMPOUND Tokyo University Of Science Educational Foundation Administrative Organization (JP) 2012-01-18 EP disclosed
US-20110319650-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2-HYDROXY ESTER AND NOVEL INTERMEDIATE COMPOUND TOKYO UNIVERSITY OF SCIENCE EDUCATIONAL FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2011-12-29 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-20110319650-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2-HYDROXY ESTER AND NOVEL INTERMEDIATE COMPOUND CA7, HAO2, HACL2 PPARG 1463/4885PPARA 1330/4885KLK7 3948/4885

“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.