SCHEMBL2053904

SCHEMBL2053904

CC(=O)Oc1ccc(Oc2ccc(Cl)n[n+]2[O-])c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
ACHE P22303 1/20 0.37
KDM4E B2RXH2 4/20 0.35
LMNA P02545 3/20 0.35
GAA P10253 3/20 0.34
GLA P06280 2/20 0.34
ALDH1A1 P00352 3/20 0.34
PKM P14618 2/20 0.34
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
ATP4A P20648 1/20 0.33
ATP4B P51164 1/20 0.33
MAPT P10636 4/20 0.33
MAPK1 P28482 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
CYP3A4 P08684 2/20 0.32
ALOX12 P18054 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL2050923 0.81 CYP3A4 (0.43) KMT2AACHELMNAGAAALDH1A1
SCHEMBL2054136 0.80 KMT2A (0.39) KMT2AACHEKDM4ELMNAGAA
SCHEMBL11577550 0.76 ACHE (0.54) KMT2AACHEKDM4ELMNAGAA
SCHEMBL9505642 0.73 LMNA (0.55) KMT2AACHEKDM4ELMNAGAA
SCHEMBL2046356 0.73 ACHE (0.40) KMT2AACHEKDM4ELMNAGAA
SCHEMBL2045435 0.72 ACHE (0.40) KMT2AACHEKDM4ELMNAGAA
SCHEMBL2541390 0.71 KDM4E (0.58) KMT2AACHEKDM4ELMNAGAA
SCHEMBL29535063 0.71 KDM4E (0.58) KMT2AACHEKDM4ELMNAGAA
SCHEMBL14700586 0.70 KMT2A (0.49) KMT2AACHEKDM4ELMNAGAA
SCHEMBL2053859 0.69 MEN1 (0.50) KMT2AALDH1A1NPC1HTTRAB9A

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 KMT2A 572/4885ACHE 48/4885KDM4E 923/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 KMT2A 493/4885ACHE 68/4885KDM4E 960/4885

“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.