SCHEMBL146541

SCHEMBL146541

Cc1ccc(COC=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 2/20 0.52
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
MAOB P27338 4/20 0.46
MAOA P21397 1/20 0.46
SRC P12931 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
CYP2A6 P11509 2/20 0.41
IDO1 P14902 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
PARP10 Q53GL7 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KCNH2 Q12809 1/20 0.40
CASP3 P42574 1/20 0.40

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
SCHEMBL11392894 0.88 CA2 (0.39) AGXTCA1CA2CA9MAOB
SCHEMBL14148847 0.87 GAA (0.55) AGXTCA1CA2CA9SMN1; SMN2
Toluene SCHEMBL15056609 0.85 TSHR (0.44) AGXTCA1CA2CA9MAOB
SCHEMBL16706851 0.83 MCHR1 (0.48) MAOBMAOANPC1RAB9AL3MBTL1
SCHEMBL147464 0.82 ALDH1A1 (0.43) CA2NPC1RAB9ACYP2A6SMN1; SMN2
SCHEMBL28111124 0.82 ERN1 (0.41) AGXTCA1CA2CA9MAOB
SCHEMBL11320245 0.81 IDO1 (0.41) AGXTCA2CA9SRCNPC1
SCHEMBL11316154 0.81 ESR1 (0.42) CA2CA9MAOBMAOASRC
SCHEMBL437438 0.79 IDO1 (0.50) CA2IDO1
SCHEMBL11009805 0.78 CYP2A6 (0.45) AGXTCA1CA2CA9MAOB

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 866 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116396296-A Preparation method of ertapenem 武汉瑞晟药业有限公司 2023-07-07 CN claimed
US-10322995-B2 Substituted cyano cycloalkyl penta-2,4-dienes, cyano cycloalkyl pent-2-en-4-ynes, cyano heterocyclyl penta-2,4-dienes and cyano heterocyclyl pent-2-en-4-ynes as active substances against abiotic plant stress BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-06-18 US claimed
EP-1412078-B1 PROCESSES FOR THE PRODUCTION OF AMINO-PROTECTED DERIVATIVES OF 4-AMINOMETHYLENE-PYRROLIDIN-3-ONE, GEMIFLOXACIN OR A SALT THEREOF LG LIFE SCIENCES LTD (KR) 2008-10-08 EP claimed
US-7199242-B2 Processes for the production of amino-protected derivatives of 4-aminomethylene-pyrrolidin-3-one and/or 4-aminomethylene-pyrrolidin-3-alkoxyimino derivatives and/or gemifloxacin or a salt thereof LG LIFE SCIENCES LIMITED (KR) 2007-04-03 US claimed
EP-1134222-B1 IMIDAZO[4,5-b]PYRIDINIUMMETHYL-CONTAINING CEPHEM COMPOUNDS HAVING BROAD ANTIBACTERIAL SPECTRUM SHIONOGI & CO (JP) 2005-04-13 EP claimed
US-20050043546-A1 Processes for the production of amino-protected derivatives of 4-aminomethylene-pyrrolidin-3-one and/or 4-aminomethylene-pyrrolidin-3-alkoxyimino derivatives and/or gemifloxacin or a salt thereof LG CHEM, LTD. (KR) 2005-02-24 US claimed
EP-1412078-A1 PROCESSES FOR THE PRODUCTION OF AMINO-PROTECTED DERIVATIVES OF 4-AMINOMETHYLENE-PYRROLIDIN-3-ONE AND/OR 4-AMINOMETHYLENE-PYRROLIDIN-3-ALKOXYIMINO DERIVATIVES AND/OR GEMIFLOXACIN OR A SALT THEREOF SB Pharmco Puerto Rico Inc (US) 2004-04-28 EP claimed
WO-2003011450-A1 PROCESSES FOR THE PRODUCTION OF AMINO-PROTECTED DERIVATIVES OF 4-AMINOMETHYLENE-PYRROLIDIN-3-ONE AND/OR 4-AMINOMETHYLENE-PYRROLIDIN-3-ALKOXYIMINO DERIVATIVES AND/OR GEMIFLOXACIN OR A SALT THEREOF LG LIFE SCIENCES LIMITED (KR) 2003-02-13 WO claimed
US-6147253-A STABILIZED FORM OF N-PROTECTED/N-SUBSTITUTED ALPHA-AMINO ALDEHYDES G. D. SEARLE & CO. (US) 2000-11-14 US claimed
EP-0861233-B1 N-PROTECTED/N-SUBSTITUTED-BETA-AMINO HYDROXY SULFONATES SEARLE & CO (US) 2000-05-03 EP claimed
EP-0342649-A2 Improved process for the preparation of 5-amino-7-(substituted amino)-quinoline-3-carboxylic acids WARNER-LAMBERT COMPANY (US) 1989-11-23 EP claimed
US-4788185-A Cephalosporin compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-11-29 US claimed
EP-0111421-B1 OXACEPHALOSPORIN DERIVATIVES, THEIR PREPARATION AND USE SHIONOGI & CO., LTD. (JP) 1986-08-20 EP claimed
US-4581170-A N-hydroxyl protecting groups and process and intermediates for the preparation of 3-acylamino-1-hydroxy-2-azetidinones E. R. SQUIBB & SONS, INC. (US) 1986-04-08 US claimed
EP-0170280-A1 Novel intermediates and process for the preparation of 3-acylamino-1-hydroxy-2-azetidinones E.R. Squibb & Sons, Inc. (US) 1986-02-05 EP claimed
US-4532233-A Antibiotics SHIONOGI & CO., LTD. (JP) 1985-07-30 US claimed
US-4529722-A A 7-ureidoacetamido-7a-methoxy-3-(1-(2-hydroxyethyl)-1H-tetrazol-5 -yl)thiomethyl-1-dethia-1-oxa-3-cephem carboxylic acid derivative SHIONOGI & CO., LTD. (JP) 1985-07-16 US claimed
EP-0111421-A1 Oxacephalosporin derivatives, their preparation and use SHIONOGI & CO., LTD. (JP) 1984-06-20 EP claimed
US-4443598-A ANTIBIOTICS AND INTERMEDIATES SHIONOGI & CO., LTD. (JP) 1984-04-17 US claimed
US-4180571-A Arylmalonamido-1-oxadethiacephalosporins SHIONOGI & CO., LTD. (JP) 1979-12-25 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20050043546-A1 Processes for the production of amino-protected derivatives of 4-aminomethylene-pyrrolidin-3-one and/or 4-aminomethylene-pyrrolidin-3-alkoxyimino derivatives and/or gemifloxacin or a salt thereof CYP4X1, PM20D2, BRIX1 AGXT 6/4885CA1 2501/4885CA2 1057/4885
US-10322995-B2 Substituted cyano cycloalkyl penta-2,4-dienes, cyano cycloalkyl pent-2-en-4-ynes, cyano heterocyclyl penta-2,4-dienes and cyano heterocyclyl pent-2-en-4-ynes as active substances against abiotic plant stress NPY2R, NPY1R, XPA AGXT 261/4885CA1 2667/4885CA2 1327/4885

“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.