SCHEMBL2051289

SCHEMBL2051289

C=CCc1c(OC)ccc(CC)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 1/20 0.48
ELANE P08246 1/20 0.45
PTGS1 P23219 2/20 0.44
ALOX5 P09917 2/20 0.44
CYP3A4 P08684 1/20 0.44
AR P10275 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
GABRA1 P14867 8/20 0.43
GABRB2 P47870 8/20 0.43
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
POLB P06746 1/20 0.41
CNR2 P34972 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL14615019 0.83 GABRA1 (0.43) ALDH1A1KDM4EHPGDELANEPTGS1
SCHEMBL1053945 0.81 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDPTGS1ALOX5
SCHEMBL3333141 0.79 ERN1 (0.50) ALDH1A1KDM4EHPGDPTGS1ALOX5
SCHEMBL3956285 0.79 KDM4E (0.46) ALDH1A1KDM4EHPGDPTGS1ALOX5
SCHEMBL3958076 0.78 MAPT (0.49) ALDH1A1KDM4EHPGDPTGS1ALOX5
Ammonia Solution, Strong SCHEMBL10969833 0.77 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDELANEPTGS1
SCHEMBL3956835 0.77 MEN1 (0.45) ALDH1A1KDM4EHPGDPTGS1ALOX5
SCHEMBL16863704 0.76 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDPTGS1ALOX5
SCHEMBL3958942 0.76 PLK1 (0.49) ALDH1A1KDM4EHPGDPTGS1ALOX5
SCHEMBL13030504 0.75 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDELANEPTGS1

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 ALDH1A1 447/4885KDM4E 923/4885HPGD 1537/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 ALDH1A1 762/4885KDM4E 960/4885HPGD 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.