SCHEMBL360679

SCHEMBL360679

CC(OC(=O)C(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 6/20 0.66
CHRM1 P11229 5/20 0.53
CHRM3 P20309 5/20 0.53
CHRM2 P08172 4/20 0.53
CHRM4 P08173 4/20 0.53
POLB P06746 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 2/20 0.48
HSD17B10 Q99714 2/20 0.48
CYP1A2 P05177 3/20 0.46
LMNA P02545 2/20 0.46
CYP2D6 P10635 2/20 0.46
KMT2A Q03164 3/20 0.46
CYP3A4 P08684 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP2C9 P11712 2/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
CYP2C19 P33261 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
SCHEMBL360678 1.00 KLK7 (0.66) KLK7CHRM1CHRM3CHRM2CHRM4
SCHEMBL12047330 0.87 KLK7 (0.64) KLK7CHRM1CHRM3CHRM2CHRM4
SCHEMBL27718810 0.84 KLK7 (0.60) KLK7CHRM1CHRM3CHRM2CHRM4
SCHEMBL360231 0.81 KLK7 (0.54) KLK7CHRM1CHRM3CHRM2CHRM4
SCHEMBL360232 0.81 KLK7 (0.54) KLK7CHRM1CHRM3CHRM2CHRM4
SCHEMBL2859436 0.81 KLK7 (0.57) KLK7CHRM1CHRM3CHRM2CHRM4
SCHEMBL2859574 0.81 KLK7 (0.57) KLK7CHRM1CHRM3CHRM2CHRM4
SCHEMBL2864946 0.81 KLK7 (0.57) KLK7CHRM1CHRM3CHRM2CHRM4
SCHEMBL18354326 0.80 KLK7 (1.00) KLK7POLBALDH1A1KMT2ACYP3A4
SCHEMBL23397715 0.79 ALDH1A1 (0.58) KLK7ALDH1A1HSD17B10CYP1A2CYP2D6

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 3948/4885CHRM1 948/4885CHRM3 1427/4885

“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.