SCHEMBL2048899

SCHEMBL2048899

COc1ccc(C)cc1Oc1ccc(Cl)[n+]([O-])n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.46
MAPT P10636 8/20 0.41
L3MBTL1 Q9Y468 8/20 0.41
HPGD P15428 6/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
MAPK1 P28482 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
ALOX12 P18054 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL2047650 0.75 JAK2 (0.32) L3MBTL1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL2051737 0.71 SMN1; SMN2 (0.40) MAPTL3MBTL1HPGDALDH1A1POLB
SCHEMBL5317240 0.68 ACHE (0.52) ACHEMAPTL3MBTL1HPGDALDH1A1
SCHEMBL12518 0.67 ACHE (1.00) ACHEMAPTL3MBTL1HPGDALDH1A1
SCHEMBL29403877 0.67 ACHE (1.00) ACHEMAPTL3MBTL1HPGDALDH1A1
SCHEMBL25355273 0.67 ACHE (0.50) ACHEMAPTL3MBTL1HPGDALDH1A1
SCHEMBL30454767 0.67 ACHE (0.50) ACHEMAPTL3MBTL1HPGDALDH1A1
SCHEMBL5316585 0.67 L3MBTL1 (0.51) ACHEMAPTL3MBTL1HPGDALDH1A1
SCHEMBL2051320 0.66 NPSR1 (0.32) ALDH1A1CYP2C9CYP2C19MEN1KMT2A
SCHEMBL9463 0.66 ACHE (0.70) ACHEMAPTL3MBTL1HPGDALDH1A1

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 ACHE 48/4885MAPT 4175/4885L3MBTL1 1259/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 ACHE 68/4885MAPT 3630/4885L3MBTL1 1659/4885

“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.