SCHEMBL2044028

SCHEMBL2044028

Cc1ccc(C)c(C(=O)Oc2cc(Cl)nnc2Oc2c(C)cccc2C2CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
RORC P51449 4/20 0.34
NOTUM Q6P988 1/20 0.33
KDM4C Q9H3R0 1/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR1A P08908 2/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
IDO1 P14902 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK4 Q16654 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
SCHEMBL2052175 0.93 RAB9A (0.35) RORCKDM4CNPC1HPGDSMN1; SMN2
SCHEMBL2048042 0.91 KMT2A (0.38) MAPTKDM4ERORCHPGDHTR1A
SCHEMBL4441314 0.90 KDM4E (0.36) MAPTKDM4ERORCNOTUMHPGD
SCHEMBL2047758 0.89 ESR1 (0.36) POLBNPC1SMN1; SMN2HTR1ASLC6A2
SCHEMBL2051434 0.89 ALDH1A1 (0.34) MAPTKDM4EPOLBRORCNOTUM
SCHEMBL27606843 0.88 RORC (0.35) KDM4ERORCNOTUMHPGDHTR1A
SCHEMBL2044787 0.88 NPSR1 (0.38) MAPTPOLBNPC1HPGDSMN1; SMN2
SCHEMBL2051698 0.88 KMT2A (0.41) MAPTKDM4EPOLBNPC1DRD2
SCHEMBL2051414 0.88 KMT2A (0.40) MAPTKDM4ERORCNPC1HPGD
SCHEMBL2049642 0.87 HTR1A (0.36) KDM4ERORCNOTUMHPGDHTR1A

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 MAPT 4175/4885KDM4E 923/4885POLB 3808/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 MAPT 3630/4885KDM4E 960/4885POLB 3884/4885

“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.