SCHEMBL2051004

SCHEMBL2051004

Oc1c(Br)ccc2ccoc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 4/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
KDM4E B2RXH2 1/20 0.31
PRKD3 O94806 1/20 0.31
ALDH1A1 P00352 1/20 0.31
EGFR P00533 1/20 0.31
LMNA P02545 1/20 0.31
PRKCG P05129 1/20 0.31
CYP1A2 P05177 1/20 0.31
PRKCB P05771 1/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 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
SCHEMBL11616702 0.77 ALOX15 (0.52) P4HBMAOAMAOBHTR2AHTR2C
SCHEMBL16048413 0.74 MAOA (0.35) P4HBMAOAMAOBHTR2AHTR2C
SCHEMBL28792200 0.74 P4HB (0.42) P4HBMAOAMAOBHTR2AHTR2C
SCHEMBL31087863 0.74 MAOA (0.35) MAOAMAOBHTR2AHTR2CHTR2B
SCHEMBL2047614 0.74 KDM4E (0.38) P4HBMAOAMAOBHTR2AHTR2C
SCHEMBL23635077 0.74 POLB (0.42) P4HBMAOAMAOBHTR2AHTR2C
SCHEMBL4419988 0.72 MAOA (0.46) MAOAMAOBHTR2AHTR2CHTR2B
SCHEMBL29591293 0.72 MAOA (0.46) MAOAMAOBHTR2AHTR2CHTR2B
SCHEMBL30232112 0.71 ESR1 (0.39) MAOAMAOBHTR2AHTR2CHTR2B
SCHEMBL31601596 0.69

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 P4HB 534/4885MAOA 1770/4885MAOB 1846/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 P4HB 467/4885MAOA 2228/4885MAOB 2276/4885

“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.