SCHEMBL2052670

SCHEMBL2052670

COc1ccc(C(=O)Oc2cc(Cl)nnc2Oc2c(C)cccc2C2CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
HCRTR1 O43613 1/20 0.35
THRB P10828 1/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
SCN9A Q15858 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL4444473 0.94 POLB (0.36) KMT2ACYP1A2CYP2C9ALDH1A1KDM4E
SCHEMBL2047427 0.93 MAPT (0.34) KMT2ACYP1A2CYP2C9ALDH1A1NPC1
SCHEMBL27588852 0.92 RORC (0.37) ALDH1A1KDM4ESCN9APOLB
SCHEMBL2047758 0.92 ESR1 (0.36) KMT2ACYP1A2CYP2C9ESR1ESR2
SCHEMBL2050264 0.92 KMT2A (0.37) KMT2ACYP1A2CYP2C9ALDH1A1NPC1
SCHEMBL2046831 0.91 KMT2A (0.36) KMT2AESR1ESR2ALDH1A1MAPT
SCHEMBL2050564 0.90 TRPM8 (0.38) HCRTR1
SCHEMBL2044586 0.90 ESR1 (0.35) KMT2AESR1ESR2NPC1RAB9A
SCHEMBL2047220 0.90 PKM (0.34) KMT2ANPC1RAB9AMAPTL3MBTL1
SCHEMBL2052440 0.90 HTR1A (0.36) KMT2AALDH1A1NPC1RAB9AL3MBTL1

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 KMT2A 572/4885CYP1A2 21/4885CYP2C9 54/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 KMT2A 493/4885CYP1A2 29/4885CYP2C9 96/4885

“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.