SCHEMBL1759243

SCHEMBL1759243

CCCC/C(C)=C/C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.48
HCAR2 Q8TDS4 2/20 0.41
ATM Q13315 1/20 0.41
CES1 P23141 2/20 0.40
ALDH1A1 P00352 6/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CES2 O00748 1/20 0.39
FAAH O00519 2/20 0.39
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 1/20 0.38
TP53 P04637 1/20 0.37
CA1 P00915 1/20 0.35
DGKA P23743 1/20 0.35

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
SCHEMBL1759245 1.00 NPSR1 (0.48) NPSR1HCAR2ATMCES1ALDH1A1
SCHEMBL15482652 1.00 NPSR1 (0.48) NPSR1HCAR2ATMCES1ALDH1A1
SCHEMBL15375163 0.94 NPSR1 (0.47) NPSR1HCAR2ATMCES1ALDH1A1
SCHEMBL2953940 0.94 NPSR1 (0.47) NPSR1HCAR2ATMCES1ALDH1A1
SCHEMBL2954948 0.94 NPSR1 (0.47) NPSR1HCAR2ATMCES1ALDH1A1
SCHEMBL7709678 0.92 FAAH (0.47) NPSR1CES1ALDH1A1HSD17B10CES2
SCHEMBL13468257 0.92 FAAH (0.47) NPSR1CES1ALDH1A1HSD17B10CES2
SCHEMBL13129941 0.92 FAAH (0.47) NPSR1CES1ALDH1A1HSD17B10CES2
SCHEMBL15482689 0.92 FAAH (0.47) NPSR1CES1ALDH1A1HSD17B10CES2
SCHEMBL3360702 0.92 FAAH (0.47) NPSR1CES1ALDH1A1HSD17B10CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 disclosed
US-20170304255-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF THE SALK INSTITUTE FOR BIOLOGICAL STUDIES 2017-10-26 US disclosed
US-20170210701-A1 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 BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-07-27 US disclosed
EP-2697193-B1 SUBSTITUTED 5-(CYCLOHEX-2-EN-1-YL)-PENTA-2,4-DIENES AND 5-(CYCLOHEX-2-EN-1-YL)-PENT-2-EN-4-INES AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER IP GMBH (DE) 2016-07-06 EP disclosed
WO-2016012362-A1 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) 2016-01-28 WO disclosed
US-9185914-B2 Substituted 5-(cyclohex-2-en-1-yl)-penta-2,4-dienes and 5-(cyclohex-2-en-1-yl)-pent-2-en-4-ines as active agents against abiotic stress in plants BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-17 US disclosed
US-8871967-B2 Esters as perfuming ingredients FIRMENICH SA (CH) 2014-10-28 US disclosed
US-20140087949-A1 SUBSTITUTED 5-(CYCLOHEX-2-EN-1-YL)-PENTA-2,4-DIENES AND 5-(CYCLOHEX-2-EN-1-YL)-PENT-2-EN-4-INES AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-27 US disclosed
US-20140051577-A1 SUBSTITUTED 5-(BICYCLO[4.1.0]HEPT-3-EN-2-YL)PENTA-2,4-DIENES AND 5-(BICYCLO[4.1.0]HEPT-3-EN-2-YL)PENT-2-ENE-4-INES AS ACTIVE AGENTS AGAINST ABIOTIC STRESSES IN PLANTS FRACKENPOHL JENS (DE) 2014-02-20 US disclosed
EP-2496548-B1 Esters as perfuming ingredients FIRMENICH & CIE (CH) 2013-08-28 EP disclosed
EP-2496548-A1 ESTERS AS PERFUMING INGREDIENTS Firmenich S.A. (CH) 2012-09-12 EP disclosed
US-20120195844-A1 ESTERS AS PERFUMING INGREDIENTS FIRMENICH SA (CH) 2012-08-02 US disclosed
WO-2011055251-A1 ESTERS AS PERFUMING INGREDIENTS FIRMENICH SA (CH) 2011-05-12 WO disclosed
US-7276531-B2 G-lactam derivatives as prostaglandin agonists APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2007-10-02 US disclosed
US-7276531-B2 G-lactam derivatives as prostaglandin agonists APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2007-10-02 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 (6 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-20170210701-A1 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 CBR3, NPY2R, CBR1 NPSR1 870/4885HCAR2 1680/4885ATM 3194/4885
US-20140087949-A1 SUBSTITUTED 5-(CYCLOHEX-2-EN-1-YL)-PENTA-2,4-DIENES AND 5-(CYCLOHEX-2-EN-1-YL)-PENT-2-EN-4-INES AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS ECH1, ENY2, CYCS NPSR1 331/4885HCAR2 4067/4885ATM 3933/4885
US-20140051577-A1 SUBSTITUTED 5-(BICYCLO[4.1.0]HEPT-3-EN-2-YL)PENTA-2,4-DIENES AND 5-(BICYCLO[4.1.0]HEPT-3-EN-2-YL)PENT-2-ENE-4-INES AS ACTIVE AGENTS AGAINST ABIOTIC STRESSES IN PLANTS RER1, ECH1, CYCS NPSR1 491/4885HCAR2 2766/4885ATM 3794/4885
US-20120195844-A1 ESTERS AS PERFUMING INGREDIENTS C5, CBR3, C1S NPSR1 642/4885HCAR2 120/4885ATM 2613/4885
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 NPSR1 740/4885HCAR2 788/4885ATM 2959/4885
US-20170304255-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF PPARG, PPARD, PPARA NPSR1 2449/4885HCAR2 635/4885ATM 2037/4885

“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.