SCHEMBL2046339

SCHEMBL2046339

CC=Cc1ccc(F)cc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA3 P07451 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
PTGS1 P23219 4/20 0.42
PTGS2 P35354 2/20 0.42
F2RL1 P55085 2/20 0.40
CNR2 P34972 1/20 0.39
AR P10275 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
KCNH2 Q12809 1/20 0.39
NFE2L2 Q16236 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX5 P09917 2/20 0.37
CYP1A1 P04798 2/20 0.37
CYP1B1 Q16678 2/20 0.37
TYR P14679 2/20 0.37

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
SCHEMBL2046337 1.00 CA3 (0.46) CA3CA6CA5ACA9CA14
SCHEMBL6820000 0.83 AR (0.46) CA3CA6CA5ACA9CA14
SCHEMBL6819997 0.83 AR (0.46) CA3CA6CA5ACA9CA14
SCHEMBL8488078 0.83 AR (0.46) CA3CA6CA5ACA9CA14
SCHEMBL27796096 0.83 CA3 (0.50) CA3CA6CA5ACA9CA14
SCHEMBL2700535 0.79 CA3 (0.42) CA3CA6CA5ACA9CA14
SCHEMBL68762 0.78 TYR (0.59) PTGS1ALOX5CYP1A1CYP1B1TYR
SCHEMBL9743148 0.78 TYR (0.59) PTGS1ALOX5CYP1A1CYP1B1TYR
SCHEMBL68761 0.78 TYR (0.59) PTGS1ALOX5CYP1A1CYP1B1TYR
SCHEMBL7651798 0.78 NFE2L2 (0.61) PTGS1PTGS2F2RL1HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CA3 934/4885CA6 3590/4885CA5A 2870/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 CA3 377/4885CA6 2890/4885CA5A 2808/4885

“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.