SCHEMBL2045818

SCHEMBL2045818

N#C/C=C/c1ccccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.52
NFKB1 P19838 2/20 0.50
CDK4 P11802 1/20 0.50
CCND1 P24385 1/20 0.50
JUN P05412 1/20 0.50
NFE2L2 Q16236 1/20 0.50
CA2 P00918 3/20 0.48
CA1 P00915 1/20 0.48
CA4 P22748 1/20 0.48
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
TRIM24 O15164 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
CHRNA7 P36544 2/20 0.44
BCHE P06276 1/20 0.44
GUSB P08236 1/20 0.44
CA12 O43570 2/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
CA9 Q16790 1/20 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
SCHEMBL2045820 1.00 TRPA1 (0.52) TRPA1NFKB1CDK4CCND1JUN
SCHEMBL10383610 0.84 KDM4E (0.40) TRPA1NFE2L2LMNAKDM4E
SCHEMBL197669 0.78 MAPT (0.57) TRPA1NFKB1CDK4CCND1JUN
SCHEMBL2348791 0.78 MAPT (0.57) TRPA1NFKB1CDK4CCND1JUN
SCHEMBL108389 0.78 TRPA1 (0.76) TRPA1NFKB1CDK4CCND1JUN
SCHEMBL717976 0.78 TRPA1 (0.76) TRPA1NFKB1CDK4CCND1JUN
SCHEMBL8718543 0.74 LMNA (0.56) CDK4CCND1LMNATRIM24TRIM33
SCHEMBL16420002 0.74 TSHR (0.41) CA2CA1LMNAKDM4E
SCHEMBL21457575 0.74 HSD11B1 (0.48) MAPTBCHEKDM4E
SCHEMBL14485246 0.74 APP (0.42) TRPA1NFE2L2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3553097-B1 COPOLYMER AND OPTICAL FILM USING SAME TOSOH CORP (JP) 2022-05-04 EP disclosed
US-11225540-B2 Copolymer and optical film using same TOSOH CORPORATION (JP) 2022-01-18 US disclosed
CN-110248971-B Copolymer and optical film using the same 东曹株式会社 2021-11-02 CN disclosed
US-20200095358-A1 COPOLYMER AND OPTICAL FILM USING SAME TOSOH CORPORATION (JP) 2020-03-26 US disclosed
EP-3553097-A1 COPOLYMER AND OPTICAL FILM USING SAME Tosoh Corporation (JP) 2019-10-16 EP disclosed
US-7964531-B2 3-phenoxy-4-pyridazinol derivatives and herbicidal composition containing the same MITSUI CHEMICALS AGRO, INC. (JP) 2011-06-21 US disclosed
US-20100041555-A1 3-Phenoxy-4-pyridazinol derivatives and herbicidal composition containing the same MITSUI CHEMICALS AGRO, INC. (JP) 2010-02-18 US disclosed
US-7608563-B2 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same MITSUI AGRO CHEMICALS, INC. (JP) 2009-10-27 US disclosed
EP-1426365-B9 3-PHENOXY-4-PYRIDAZINOL DERIVATIVE AND HERBICIDE COMPOSITION CONTAINING THE SAME MITSUI CHEMICALS AGRO INC (JP) 2009-10-21 EP disclosed
EP-1426365-B1 3-PHENOXY-4-PYRIDAZINOL DERIVATIVE AND HERBICIDE COMPOSITION CONTAINING THE SAME SANKYO AGRO CO LTD (JP) 2009-07-15 EP disclosed
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same SANKYO AGRO COMPANY, LIMITED (JP) 2005-02-17 US disclosed
EP-1426365-A1 3-PHENOXY-4-PYRIDAZINOL DERIVATIVE AND HERBICIDE COMPOSITION CONTAINING THE SAME Sankyo Agro Company, Limited (JP) 2004-06-09 EP 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 (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-20100041555-A1 3-Phenoxy-4-pyridazinol derivatives and herbicidal composition containing the same CBR3, DDT, CBR1 TRPA1 700/4885NFKB1 4021/4885CDK4 569/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 TRPA1 752/4885NFKB1 4184/4885CDK4 363/4885

“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.