SCHEMBL2051871

SCHEMBL2051871

Cc1cccc(C2CC2)c1Oc1nnc(Cl)cc1OC(=O)c1ccccc1I

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 1/20 0.33
RORC P51449 4/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
HTR1A P08908 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
POLB P06746 1/20 0.31
PTPRF P10586 1/20 0.31
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK4 Q16654 1/20 0.31

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
SCHEMBL4441314 0.93 KDM4E (0.36) ALDH1A1KDM4EHSD17B10HPGDRORC
SCHEMBL2048042 0.92 KMT2A (0.38) ALDH1A1KDM4EHSD17B10HPGDRORC
SCHEMBL2051414 0.91 KMT2A (0.40) ALDH1A1KDM4EHSD17B10HPGDRORC
SCHEMBL2051434 0.90 ALDH1A1 (0.34) ALDH1A1KDM4EHSD17B10HPGDRORC
SCHEMBL2051880 0.89 HTR1A (0.39) ALDH1A1KDM4EHPGDRORCMAPT
SCHEMBL2044994 0.89 KMT2A (0.36) ALDH1A1KDM4EHSD17B10HPGDRORC
SCHEMBL2044787 0.89 NPSR1 (0.38) ALDH1A1HPGDMAPTKMT2AESR1
SCHEMBL2045128 0.88 MAPT (0.39) ALDH1A1KDM4EHPGDMAPTHTT
SCHEMBL2051177 0.88 TAS1R3 (0.36) ALDH1A1KDM4EHSD17B10HPGDRORC
SCHEMBL2046381 0.87 SCN1A (0.39) ALDH1A1KDM4EHSD17B10HPGDMAPT

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 ALDH1A1 447/4885KDM4E 923/4885HSD17B10 493/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 ALDH1A1 762/4885KDM4E 960/4885HSD17B10 591/4885

“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.