SCHEMBL360231

SCHEMBL360231

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

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 7/20 0.54
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
KMT2A Q03164 1/20 0.47
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
TDP1 Q9NUW8 1/20 0.46
CYP2D6 P10635 2/20 0.45
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
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
SCHEMBL360232 1.00 KLK7 (0.54) KLK7POLBL3MBTL1KMT2ACHRM1
SCHEMBL12047339 0.88 KLK7 (0.53) KLK7POLBL3MBTL1KMT2ACHRM1
SCHEMBL4957240 0.82 KLK7 (0.46) KLK7POLBL3MBTL1KMT2ACHRM1
SCHEMBL360678 0.81 KLK7 (0.66) KLK7POLBL3MBTL1KMT2ACHRM1
SCHEMBL360679 0.81 KLK7 (0.66) KLK7POLBL3MBTL1KMT2ACHRM1
SCHEMBL27718810 0.81 KLK7 (0.60) KLK7POLBL3MBTL1KMT2ACHRM1
SCHEMBL15449773 0.78 TP53 (0.50) KLK7KMT2AALDH1A1HSD17B10CYP2D6
SCHEMBL2859574 0.78 KLK7 (0.57) KLK7POLBL3MBTL1KMT2ACHRM1
SCHEMBL2864946 0.78 KLK7 (0.57) KLK7POLBL3MBTL1KMT2ACHRM1
SCHEMBL2859436 0.78 KLK7 (0.57) KLK7POLBL3MBTL1KMT2ACHRM1

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 3999/4885L3MBTL1 2785/4885

“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.