SCHEMBL360674

SCHEMBL360674

CCCCC(OC(=O)C(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 9/20 0.59
PTGES O14684 1/20 0.46
ALOX5 P09917 1/20 0.46
PPARG P37231 1/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
LMNA P02545 1/20 0.46
CHRM1 P11229 4/20 0.44
CHRM3 P20309 4/20 0.44
CHRM2 P08172 3/20 0.44
CHRM4 P08173 3/20 0.44
CYP3A4 P08684 3/20 0.44
POLB P06746 2/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL360673 1.00 KLK7 (0.59) KLK7PTGESALOX5PPARGCYP1A2
SCHEMBL359760 0.91 KLK7 (0.57) KLK7PPARGCYP1A2CYP2D6LMNA
SCHEMBL359759 0.91 KLK7 (0.57) KLK7PPARGCYP1A2CYP2D6LMNA
SCHEMBL360652 0.84 KLK7 (0.68) KLK7CYP1A2CYP2D6LMNACHRM1
SCHEMBL360653 0.84 KLK7 (0.68) KLK7CYP1A2CYP2D6LMNACHRM1
SCHEMBL9215034 0.81 NAAA (0.51) KLK7LMNAALDH1A1SMN1; SMN2
SCHEMBL359777 0.80 PPARG (0.51) KLK7PPARGCHRM1CHRM3CHRM2
SCHEMBL359778 0.80 PPARG (0.51) KLK7PPARGCHRM1CHRM3CHRM2
SCHEMBL361291 0.78 KLK7 (0.54) KLK7CYP1A2CYP2D6LMNACHRM1
SCHEMBL361290 0.78 KLK7 (0.54) KLK7CYP1A2CYP2D6LMNACHRM1

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 KLK7 3948/4885PTGES 1391/4885ALOX5 52/4885

“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.