SCHEMBL361290

SCHEMBL361290

CC(C)C[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 11/20 0.54
POLB P06746 1/20 0.49
CHRM1 P11229 4/20 0.46
CHRM3 P20309 4/20 0.46
CHRM2 P08172 3/20 0.46
CHRM4 P08173 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP3A4 P08684 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL361291 1.00 KLK7 (0.54) KLK7POLBCHRM1CHRM3CHRM2
SCHEMBL360652 0.83 KLK7 (0.68) KLK7POLBCHRM1CHRM3CHRM2
SCHEMBL360653 0.83 KLK7 (0.68) KLK7POLBCHRM1CHRM3CHRM2
SCHEMBL9800444 0.83 KLK7 (0.47) KLK7POLBALDH1A1HSD17B10LMNA
SCHEMBL359759 0.81 KLK7 (0.57) KLK7POLBCHRM1CHRM3CHRM2
SCHEMBL359760 0.81 KLK7 (0.57) KLK7POLBCHRM1CHRM3CHRM2
SCHEMBL9554385 0.79 SRR (0.57) KLK7
SCHEMBL360673 0.78 KLK7 (0.59) KLK7POLBCHRM1CHRM3CHRM2
SCHEMBL8440943 0.78 SRR (0.49) CYP1A2
SCHEMBL360674 0.78 KLK7 (0.59) KLK7POLBCHRM1CHRM3CHRM2

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 3948/4885POLB 3999/4885CHRM1 948/4885

“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.