SCHEMBL2046452

SCHEMBL2046452

CC(=O)Oc1cc(Cl)nnc1Oc1c(C)cccc1C1CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
PTPN1 P18031 1/20 0.37
HTR1A P08908 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.34
RORC P51449 4/20 0.33
TERT O14746 2/20 0.33
NOTUM Q6P988 1/20 0.32
ESR1 P03372 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
HMGB1 P09429 1/20 0.32
TSHR P16473 1/20 0.32
GGT1 P19440 1/20 0.32
PTGS1 P23219 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
SCHEMBL2046756 0.91 HTR1A (0.34) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL2045785 0.89 MEN1 (0.40) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL4444473 0.89 POLB (0.36) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL2046017 0.89 HTR1A (0.34) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL2049642 0.89 HTR1A (0.36) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL2046336 0.89 HTR1A (0.34) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL2047163 0.89 RORC (0.34) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL2045011 0.89 ESR1 (0.34) ALDH1A1HPGDHTR1ASLC6A2SLC6A4
SCHEMBL4441314 0.89 KDM4E (0.36) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL2045992 0.89 ACHE (0.39) KDM4EHTR1ASLC6A2SLC6A4RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1543455-B 3-phenoxy-4-pyridazinol derivatives and herbicidal compositions containing the same SANKYO AGRO CO LTD 2012-07-11 CN disclosed
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
CN-1543455-A 3-phenoxy-4-pyridazinol derivatives and herbicidal compositions containing the same 三共农业株式会社 2004-11-03 CN 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 KDM4E 923/4885ALDH1A1 447/4885HPGD 1537/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 KDM4E 960/4885ALDH1A1 762/4885HPGD 1885/4885

“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.