SCHEMBL2046254

SCHEMBL2046254

Cc1ccc2occc2c1Oc1nnc(Cl)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 16/20 0.34
TRPA1 O75762 1/20 0.33
ADRB2 P07550 1/20 0.31
CHRM2 P08172 1/20 0.31
ADRB1 P08588 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD2 P14416 1/20 0.31
CNR1 P21554 1/20 0.31
DRD4 P21917 1/20 0.31
DRD5 P21918 1/20 0.31
HRH2 P25021 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
HTR2A P28223 1/20 0.31
HTR1E P28566 1/20 0.31
HTR7 P34969 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 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
SCHEMBL2046153 0.87 KCNA3 (0.35) DRD1TRPA1
SCHEMBL2047559 0.75 HSP90AA1 (0.41) KDM4ETSHR
SCHEMBL2046713 0.68 CYP1A1 (0.47) HTR2AHTR2BCYP1A1CYP3A4ADORA3
SCHEMBL2051519 0.68 SCN9A (0.43) KDM4EALDH1A1
SCHEMBL2048820 0.67 DRD1 (0.32) DRD1
SCHEMBL2046098 0.67 CYP3A4 (0.34) TRPA1SLC6A3CYP3A4MAPK1ACHE
SCHEMBL2048019 0.67 SCN9A (0.32)
SCHEMBL2050373 0.66 SMN1; SMN2 (0.50) ADRB2SLC6A3HPGDMAPK1KDM4E
SCHEMBL2047971 0.66 HTR1A (0.40) HTR1AHTR6SLC6A3
SCHEMBL2048311 0.66 TRPA1 (0.38) DRD1TRPA1HPGDACHEALDH1A1

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 DRD1 71/4885TRPA1 700/4885ADRB2 149/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 DRD1 61/4885TRPA1 752/4885ADRB2 241/4885

“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.