SCHEMBL3706987

SCHEMBL3706987

CCOC(=O)CCC(NC(=O)c1ccccc1)C(=O)OCC

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.61
HSD17B10 Q99714 2/20 0.61
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 1/20 0.61
HPGD P15428 1/20 0.61
KMT2A Q03164 3/20 0.57
POLB P06746 1/20 0.57
BCHE P06276 2/20 0.53
ACHE P22303 2/20 0.53
LMNA P02545 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
P2RY12 Q9H244 2/20 0.51
CYP26A1 O43174 1/20 0.49
MEN1 O00255 1/20 0.48

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
SCHEMBL6313152 1.00 L3MBTL1 (0.61) L3MBTL1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL8242593 0.93 L3MBTL1 (0.58) L3MBTL1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL2251586 0.93 L3MBTL1 (0.58) L3MBTL1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL27584197 0.93 L3MBTL1 (0.65) L3MBTL1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL27630597 0.92 L3MBTL1 (0.52) L3MBTL1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL16509378 0.89 L3MBTL1 (0.61) L3MBTL1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL11631569 0.88 L3MBTL1 (0.67) L3MBTL1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL11631574 0.88 L3MBTL1 (0.67) L3MBTL1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL10829643 0.88 L3MBTL1 (0.50) L3MBTL1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL10829650 0.88 L3MBTL1 (0.50) L3MBTL1HSD17B10KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100376546-C Diethyl 4(4-oxobutyl) benzoyl-L-glutamate and its preparation and use UNIV ZHEJIANG POLYTECHNIC (CN) 2008-03-26 CN claimed
CN-1321975-C Diethyl 4[(4-oxo-3-bromo) butyl] benzoyl-L-glutamate and preparation and use UNIV ZHEJIANG POLYTECHNIC (CN) 2007-06-20 CN claimed
CN-1821220-A Diethyl 4[(4-oxo-3-bromo) butyl] benzoyl-L-glutamate and preparation and use UNIV ZHEJIANG POLYTECHNIC (CN) 2006-08-23 CN claimed
CN-1821219-A Diethyl 4(4-oxobutyl) benzoyl-L-glutamate and its preparation and use UNIV ZHEJIANG POLYTECHNIC (CN) 2006-08-23 CN claimed
US-20110306671-A1 AMIDE DERIVATIVES OF ETHACRYNIC ACID The Regents of the The University of California (US) 2011-12-15 US disclosed
WO-2010077310-A2 AMIDE DERIVATIVES OF ETHACRYNIC ACID THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-07-08 WO disclosed
CN-100379729-C Nitro compounds and their application in preparation of pemetrexed HAINAN TIANYUAN KANGZE PHARMAC (CN) 2008-04-09 CN disclosed
CN-1321975-C Diethyl 4[(4-oxo-3-bromo) butyl] benzoyl-L-glutamate and preparation and use UNIV ZHEJIANG POLYTECHNIC (CN) 2007-06-20 CN disclosed
CN-1827604-A Nitro compounds and their application in preparation of pemetrexed HENAN TIANYUAN KANGZE PHARMACE (CN) 2006-09-06 CN disclosed
CN-1821220-A Diethyl 4[(4-oxo-3-bromo) butyl] benzoyl-L-glutamate and preparation and use UNIV ZHEJIANG POLYTECHNIC (CN) 2006-08-23 CN disclosed
CN-1049215-C Process for preparing benzoquinazoline thymidylate synthase inhibitors WELLOCOME FOUNDATION LTD (GB) 2000-02-09 CN disclosed
CN-1040209-C Method for the production of folic acid HOFFMANN LA ROCHE (CH) 1998-10-14 CN 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-20110306671-A1 AMIDE DERIVATIVES OF ETHACRYNIC ACID EPX, TNF, NFKBIA L3MBTL1 1377/4885HSD17B10 1502/4885KDM4E 4196/4885

“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.