SCHEMBL2052233

SCHEMBL2052233

Cc1cccc(Oc2nnc(Cl)cc2O)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
PPARA Q07869 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KEAP1 Q14145 1/20 0.39
TRPA1 O75762 1/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 5/20 0.38
NUDT1 P36639 1/20 0.38
MAPT P10636 4/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 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
SCHEMBL2047088 0.92 RXRA (0.35) RXRARXRBRXRGPPARACYP1A2
SCHEMBL2049815 0.88 HSD11B1 (0.39) ALDH1A1
SCHEMBL2047940 0.88 MEN1 (0.47) CYP1A2CYP2C19L3MBTL1ALDH1A1MAPT
SCHEMBL2049679 0.87 ALDH1A1 (0.40) RXRARXRBRXRGPPARACYP3A4
SCHEMBL2047125 0.85 KMT2A (0.33) RXRARXRBRXRGPPARACYP1A2
SCHEMBL2053034 0.85 ALDH1A1 (0.39) RXRARXRBRXRGPPARACYP2C19
SCHEMBL2048521 0.84 HSP90AA1 (0.39) CYP1A2CYP3A4CYP2D6L3MBTL1TRPA1
Cyclopropane SCHEMBL21800894 0.84 KMT2A (0.44) CYP1A2CYP2C19L3MBTL1ALDH1A1NPSR1
SCHEMBL2047459 0.83 ALDH1A1 (0.37) CYP3A4L3MBTL1ALDH1A1MAPTNPSR1
SCHEMBL2044386 0.81 HTR1A (0.31) RXRARXRBRXRGPPARATRPA1

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 8 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
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 RXRA 698/4885RXRB 808/4885RXRG 540/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 RXRA 646/4885RXRB 792/4885RXRG 460/4885

“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.