SCHEMBL4297722

SCHEMBL4297722

CCOC(=O)/C=C(\C)CC(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.47
HCAR2 Q8TDS4 1/20 0.39
ALDH1A1 P00352 4/20 0.38
LMNA P02545 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 4/20 0.35
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 2/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
GALK1 P51570 1/20 0.35
CCR6 P51684 1/20 0.35
BLM P54132 1/20 0.35
MCL1 Q07820 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GLO1 Q04760 1/20 0.34
MEN1 O00255 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL4297724 1.00 NPSR1 (0.47) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL15482585 0.80 HCAR2 (0.37) HCAR2ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL7598957 0.79 NPSR1 (0.46) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL15482740 0.78 NPSR1 (0.52) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL9512735 0.77 NPSR1 (0.56) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL2952591 0.77 NPSR1 (0.56) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL2948325 0.77 NPSR1 (0.56) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL11768423 0.77 NPSR1 (0.43) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL14776121 0.77 NPSR1 (0.43) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL11768430 0.77 NPSR1 (0.43) NPSR1HCAR2ALDH1A1LMNAHSD17B10

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 11 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-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
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-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-2061470-A2 HALOALKYL-SUBSTITUTED PYRIMIDINONE DERIVATIVES Neurogen Corporation (US) 2009-05-27 EP disclosed
US-20080090845-A1 Haloalkyl-substituted pyrimidinone derivatives NEUROGEN CORPORATION (US) 2008-04-17 US disclosed
US-20080090845-A1 Haloalkyl-substituted pyrimidinone derivatives NEUROGEN CORPORATION (US) 2008-04-17 US disclosed
US-20080090845-A1 Haloalkyl-substituted pyrimidinone derivatives NEUROGEN CORPORATION (US) 2008-04-17 US disclosed
WO-2008024433-A2 HALOALKYL-SUBSTITUTED PYRIMIDINONE DERIVATIVES NEUROGEN CORPORATION (US) 2008-02-28 WO 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 (5 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 1680/4885ALDH1A1 1730/4885
US-20080090845-A1 Haloalkyl-substituted pyrimidinone derivatives PIGS, GPR174, GPR17 NPSR1 118/4885HCAR2 25/4885ALDH1A1 461/4885
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 4067/4885ALDH1A1 2749/4885
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 2766/4885ALDH1A1 2844/4885
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 788/4885ALDH1A1 2790/4885

“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.