SCHEMBL979154

SCHEMBL979154

O=C1OCCC=C1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 2/20 0.39
BACE1 P56817 2/20 0.39
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
ALDH1A1 P00352 3/20 0.36
CFTR P13569 1/20 0.35
GOPC Q9HD26 1/20 0.35
LMNA P02545 2/20 0.34
HTT P42858 2/20 0.34
MAPT P10636 2/20 0.34
PTPN1 P18031 2/20 0.34
PTPRC P08575 1/20 0.34
PTPRF P10586 1/20 0.34
CDC25B P30305 1/20 0.34
HSD17B3 P37058 1/20 0.34
PTGS1 P23219 1/20 0.33
DRD2 P14416 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
AXL P30530 1/20 0.33

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
SCHEMBL29822762 0.84 ALDH1A1 (0.39) CYP2C19KMT2AALDH1A1MAPTPTPRC
SCHEMBL29822613 0.82 NOTUM (0.36) CYP2C19MAOBALDH1A1LMNAMAPT
SCHEMBL6995497 0.82 PTGS1 (0.41) CYP2C19KMT2APTGS1DRD2SIGMAR1
SCHEMBL12263267 0.82 TSHR (0.40) CYP2C19KMT2A
SCHEMBL979621 0.78 CFTR (0.43) KMT2ABACE1MAOAMAOBALDH1A1
SCHEMBL6995502 0.78 PTGS1 (0.40) PTGS1
SCHEMBL29822805 0.78 BACE1 (0.49) KMT2ABACE1ALDH1A1LMNAMAPT
SCHEMBL4690479 0.75 ABCC9 (0.41) MAOB
SCHEMBL7548195 0.74 PTGS2 (0.40) MAOBPTGS1
SCHEMBL29822654 0.74 LMNA (0.40) CYP2C19KMT2AMAOAMAOBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2806741-B1 PHENYL-SUBSTITUTED KETOENOLS FOR CONTROLLING FISH PARASITES BAYER IP GMBH (DE) 2020-03-04 EP disclosed
CN-103641709-B The ketone enol replaced by haloalkyl methylene phenyl 拜耳知识产权有限责任公司 2017-08-25 CN disclosed
US-9212140-B2 (5s,8s)-3-(4′-chlor-3′-fluor-4-methlybiphenyl-3-yl)-4-hydroxy-8-methoxy-1-azaspiro[4.5] dec-3-en-2-one (compound A) for treatment BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-15 US disclosed
US-9089137-B2 Phenyl-substituted ketoenols for controlling fish parasites BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-28 US disclosed
US-9045390-B2 Haloalkylmethyleneoxyphenyl-substituted ketoenols BAYER CROPSCIENCE AG (DE) 2015-06-02 US disclosed
US-20150005358-A1 PHENYL-SUBSTITUTED KETOENOLS FOR CONTROLLING FISH PARASITES INTERVET INC. 2015-01-01 US disclosed
EP-2806741-A1 PHENYL-SUBSTITUTED KETOENOLS FOR CONTROLLING FISH PARASITES Bayer Intellectual Property GmbH (DE) 2014-12-03 EP disclosed
US-20140213813-A9 Haloalkylmethyleneoxyphenyl-Substituted Ketoenols BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-31 US disclosed
US-20140031407-A1 (5S,8S)-3-(4'-CHLOR-3'-FLUOR-4-METHLYBIPHENYL-3-YL)-4-HYDROXY-8-METHOXY-1-AZASPIRO[4.5]DEC-3-EN-2-ONE (COMPOUND A) FOR TREATMENT BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-30 US disclosed
US-20140031577-A1 Haloalkylmethyleneoxyphenyl-Substituted Ketoenols BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-30 US disclosed
US-20090209513-A1 Insecticidal Compositions Having Improved Effect BAYER CROPSCIENCE AG (DE) 2009-08-20 US disclosed
US-20080311478-A1 Lithium Secondary Battery MITSUBISHI CHEMICAL CORPORATION (JP) 2008-12-18 US disclosed
CN-101203982-A Lithium secondary battery MITSUBISHI CHEM CORP (JP) 2008-06-18 CN disclosed
EP-1892789-A1 LITHIUM SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2008-02-27 EP disclosed
EP-1165540-B1 TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME (GB) 2003-08-13 EP disclosed
US-6458830-B1 THE COMPOUNDS ARE OF PARTICULAR USE IN THE TREATMENT OR PREVENTION OF DEPRESSION, ANXIETY, PAIN, INFLAMMATION, MIGRAINE, EMESIS AND POSTHERPETIC NEURALGIA. MERCK SHARP & DOHME LTD. 2002-10-01 US disclosed
CN-1344264-A Tetrahydropyran derivatives and their use as therapeutic agents MERCK SHARP & DOHME (GB) 2002-04-10 CN disclosed
EP-1165540-A1 TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 2002-01-02 EP disclosed
WO-2000056728-A1 TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 2000-09-28 WO disclosed
WO-2000056727-A1 TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 2000-09-28 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-20140213813-A9 Haloalkylmethyleneoxyphenyl-Substituted Ketoenols PHYKPL, KCNE1, CSNK1E CYP2C19 1308/4885KMT2A 885/4885BACE1 4270/4885
US-20090209513-A1 Insecticidal Compositions Having Improved Effect PTEN, PIK3CG, PIK3CD CYP2C19 3061/4885KMT2A 874/4885BACE1 1271/4885
US-20150005358-A1 PHENYL-SUBSTITUTED KETOENOLS FOR CONTROLLING FISH PARASITES KARS1, TKT, PKM CYP2C19 483/4885KMT2A 199/4885BACE1 4872/4885
US-20140031407-A1 (5S,8S)-3-(4'-CHLOR-3'-FLUOR-4-METHLYBIPHENYL-3-YL)-4-HYDROXY-8-METHOXY-1-AZASPIRO[4.5]DEC-3-EN-2-ONE (COMPOUND A) FOR TREATMENT AZI2, CYP8B1, VHL CYP2C19 761/4885KMT2A 541/4885BACE1 3682/4885
US-20140031577-A1 Haloalkylmethyleneoxyphenyl-Substituted Ketoenols PHYKPL, KCNE1, CSNK1E CYP2C19 1308/4885KMT2A 885/4885BACE1 4270/4885

“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.