SCHEMBL2048407

SCHEMBL2048407

Cc1ccc2occc2c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 2/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 1/20 0.42
CYP2A6 P11509 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.38
ALOX5 P09917 1/20 0.38
NFKB1 P19838 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
TRPA1 O75762 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL8404363 0.77 MAOA (0.38) ALDH1A1CYP3A4HPGDCYP2A6KDM4E
SCHEMBL28636765 0.74 ALDH1A1 (0.42) ALDH1A1CYP3A4HPGDMAPTCYP2A6
SCHEMBL2269866 0.74 KDM4E (0.47) ALDH1A1CYP3A4HPGDMAPTCYP2A6
SCHEMBL14824860 0.74 HTR2A (0.38) KDM4ENFKB1MAOAMAOBHTR2A
SCHEMBL17221561 0.74 MAOA (0.36) NFKB1MAOAMAOBHTR2AHTR2C
SCHEMBL18876065 0.74 MAOA (0.36) NFKB1MAOAMAOBHTR2AHTR2C
SCHEMBL17221268 0.74 HTR2A (0.34) ALDH1A1CYP3A4HPGDKDM4EMEN1
SCHEMBL15800545 0.74 GABRA1 (0.43) ALDH1A1CYP3A4HPGDMAPTCYP2A6
SCHEMBL4429415 0.72 PAX8 (0.48) ALDH1A1CYP3A4HPGDMAPTCYP2A6
SCHEMBL30973539 0.72 CYP3A4 (0.45) ALDH1A1CYP3A4HPGDMAPTCYP2A6

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
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-20080167347-A1 Antidiabetic, antiproliferative, anticancer agents; benzanilide derivatives SHIONGI & CO., LTD. (JP) 2008-07-10 US disclosed
US-20080167347-A1 Antidiabetic, antiproliferative, anticancer agents; benzanilide derivatives SHIONGI & CO., LTD. (JP) 2008-07-10 US 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 (3 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 ALDH1A1 447/4885CYP3A4 89/4885HPGD 1537/4885
US-20080167347-A1 Antidiabetic, antiproliferative, anticancer agents; benzanilide derivatives CCNY, HDGF, GLI1 ALDH1A1 1472/4885CYP3A4 3548/4885HPGD 2633/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 ALDH1A1 762/4885CYP3A4 132/4885HPGD 1885/4885

“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.