SCHEMBL2051002

SCHEMBL2051002

COCOc1cccc2c1CC1CC21

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
HTR1A P08908 8/20 0.33
DRD2 P14416 3/20 0.33
HSD11B1 P28845 1/20 0.33
PTPN1 P18031 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
EGFR P00533 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 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
SCHEMBL2045421 0.78 DRD2 (0.39) HTR1ADRD2PTPN1DRD4DRD3
SCHEMBL5997652 0.71 HSD11B1 (0.42) HTR2AHTR2CHTR2BHTR1ADRD2
SCHEMBL11458803 0.70 KEAP1 (0.35) HSD11B1PTPN1EGFR
SCHEMBL28782081 0.70 HTR2C (0.44) HTR2AHTR2CHTR2BEGFR
SCHEMBL26197331 0.70 HTR2C (0.44) HTR2AHTR2CHTR2BEGFR
SCHEMBL23042972 0.70 HTR2C (0.44) HTR2AHTR2CHTR2BEGFR
SCHEMBL5214822 0.69 MAOB (0.49) MAOAMAOB
SCHEMBL9802418 0.68 DRD1 (0.39) HTR2CHTR1A
SCHEMBL15773405 0.68 HSD11B1 (0.48) HTR1ADRD2HSD11B1DRD4DRD3
SCHEMBL12703758 0.68 POLL (0.39) MAOAMAOB

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 HTR2A 1220/4885HTR2C 434/4885HTR2B 1313/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 HTR2A 1532/4885HTR2C 634/4885HTR2B 1612/4885

“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.