SCHEMBL2045625

SCHEMBL2045625

COc1cccc2c1C(=O)C2CCCO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLL Q9UGP5 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
TOP1 P11387 1/20 0.41
EGFR P00533 2/20 0.40
PIM1 P11309 1/20 0.40
ELANE P08246 3/20 0.38
NR3C1 P04150 1/20 0.38
ACHE P22303 1/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 1/20 0.38
FPR1 P21462 1/20 0.38
KDM4E B2RXH2 3/20 0.37
HTT P42858 2/20 0.37
GAA P10253 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
SCHEMBL2045232 0.85 TOP1 (0.41) POLLMEN1KMT2ACA1CA2
SCHEMBL24074075 0.70 ELANE (0.41) POLLTOP1ELANECYP2C19CYP1A2
SCHEMBL7873621 0.70 NR3C1 (0.49) POLLMEN1KMT2ACA1CA2
SCHEMBL3833035 0.69 POLL (0.51) POLLMEN1KMT2ACA1CA2
SCHEMBL19249656 0.66 POLL (0.51) POLLMEN1KMT2ACA1CA2
SCHEMBL8013611 0.66 SIGMAR1 (0.64)
SCHEMBL5995198 0.65 POLL (0.47) POLLMEN1KMT2ACA1CA2
Syringol SCHEMBL29016818 0.64 TP53 (0.61) CA1CA2CA7CA9CYP2C19
SCHEMBL11352016 0.64 KDM4E (0.47) POLLCA1CA2CA7CA9
SCHEMBL9140156 0.64 POLL (0.53) POLLMEN1KMT2ACA1CA2

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 POLL 172/4885MEN1 4596/4885KMT2A 572/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 POLL 148/4885MEN1 4495/4885KMT2A 493/4885

“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.