SCHEMBL166471

SCHEMBL166471

C/C(C(=O)O)=C(\Cc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.52
CES2 O00748 1/20 0.52
AKR1B1 P15121 1/20 0.52
CTBP2 P56545 1/20 0.47
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
TSHR P16473 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
EPHX2 P34913 1/20 0.42
PAM P19021 2/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL27743699 1.00 CES1 (0.52) CES1CES2AKR1B1CTBP2ALDH1A1
SCHEMBL304634 0.98 CES1 (0.50) CES1CES2AKR1B1CTBP2ALDH1A1
SCHEMBL304636 0.98 CES1 (0.50) CES1CES2AKR1B1CTBP2ALDH1A1
SCHEMBL28031022 0.90 CES1 (0.50) CES1CES2AKR1B1CTBP2ALDH1A1
SCHEMBL28787617 0.86 CES1 (0.47) CES1CES2AKR1B1CTBP2ALDH1A1
SCHEMBL11109782 0.85 CES1 (0.54) CES1CES2AKR1B1CTBP2ALDH1A1
SCHEMBL6516505 0.85 CES2 (0.45) CES1CES2AKR1B1CTBP2ALDH1A1
SCHEMBL6516498 0.85 CES2 (0.45) CES1CES2AKR1B1CTBP2ALDH1A1
SCHEMBL384894 0.84 CES1 (0.64) CES1CES2AKR1B1CTBP2ALDH1A1
SCHEMBL384895 0.84 CES1 (0.64) CES1CES2AKR1B1CTBP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2145921-B1 Vulcanizable polymer compositions ARLANXEO DEUTSCHLAND GMBH (DE) 2017-01-25 EP claimed
EP-2199326-B1 Vulcanizable polymer compositions LANXESS DEUTSCHLAND GMBH (DE) 2014-10-29 EP claimed
EP-3728355-B1 NITRILE DIENE CARBOXYLIC ACID ESTER COPOLYMERS ARLANXEO DEUTSCHLAND GMBH (DE) 2022-04-20 EP disclosed
EP-3668922-B1 VULCANISABLE COMPOSITIONS CONTAINING HYDROGENATED NITRILE RUBBER, VULCANIZATES PREPARED FROM SAME AND THEIR USE ARLANXEO DEUTSCHLAND GMBH (DE) 2022-03-16 EP disclosed
EP-3720885-B1 METHOD FOR PRODUCING NITRILE RUBBERS WITH RUTHENIUM COMPLEX CATALYSTS ARLANXEO DEUTSCHLAND GMBH (DE) 2021-12-01 EP disclosed
EP-3684604-B1 VULCANIZABLE HNBR COMPOSITION WITH HIGH THERMAL CONDUCTIVITY ARLANXEO DEUTSCHLAND GMBH (DE) 2021-11-24 EP disclosed
EP-3728452-A1 VULCANIZED HNBR PRODUCT WITH IMPROVED HOT AIR RESISTANCE ARLANXEO Deutschland GmbH (DE) 2020-10-28 EP disclosed
EP-3728355-A1 NITRILE-DIENE-CARBOXYLIC ACID ESTER COPOLYMERS ARLANXEO Deutschland GmbH (DE) 2020-10-28 EP disclosed
EP-3720885-A1 PROCESS FOR PRODUCING NITRILE RUBBERS USING RUTHENIUM COMPLEX CATALYSTS ARLANXEO Deutschland GmbH (DE) 2020-10-14 EP disclosed
EP-3684604-A1 VULCANIZABLE HNBR COMPOSITION HAVING HIGH THERMAL CONDUCTIVITY ARLANXEO Deutschland GmbH (DE) 2020-07-29 EP disclosed
EP-3387931-B1 VULCANIZABLE COMPOSITION COMPRISING HXNBR LATEX AND POLYFUNCTIONAL EPOXIDE ARLANXEO DEUTSCHLAND GMBH (DE) 2020-07-15 EP disclosed
EP-2316861-A1 Nitrile rubbers LANXESS Deutschland GmbH (DE) 2011-05-04 EP disclosed
EP-2316860-A1 Nitrile rubbers LANXESS Deutschland GmbH (DE) 2011-05-04 EP disclosed
WO-2011032832-A1 NITRILE RUBBERS AND PRODUCTION THEREOF IN ORGANIC SOLVENTS LANXESS DEUTSCHLAND GMBH (DE) 2011-03-24 WO disclosed
EP-2298824-A1 Nitrile rubbers and production of same in organic solvents LANXESS Deutschland GmbH (DE) 2011-03-23 EP disclosed
EP-2289987-A1 Vulcanizable blend and its use for reparing rubberbased molded articles LANXESS Deutschland GmbH (DE) 2011-03-02 EP disclosed
EP-2267037-A1 Use of wholly or partially hydrated nitrile rubbers LANXESS Deutschland GmbH (DE) 2010-12-29 EP disclosed
CN-101458341-B Combination for stopping uv optical lens and capable of preventing aetiolation in heat treatment process and optical lens using same SHIN DAE SPECIALTIES CO LTD 2010-12-15 CN disclosed
CN-101458341-A Combination for stopping uv optical lens and capable of preventing aetiolation in heat treatment process and optical lens using same SHIN DAE SPECIALTIES CO LTD (KR) 2009-06-17 CN disclosed
US-20080090825-A1 Metallo-beta-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2008-04-17 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-20080090825-A1 Metallo-beta-lactamase inhibitors ME1, MGAM, GAA CES1 206/4885CES2 400/4885AKR1B1 2040/4885

“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.