SCHEMBL2047896

SCHEMBL2047896

C=CCc1ccccc1Oc1nnc(Cl)cc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
ADRA2C P18825 5/20 0.39
ADRA2A P08913 4/20 0.39
ADRA2B P18089 4/20 0.39
HTR1A P08908 4/20 0.39
KCNH2 Q12809 2/20 0.39
ICAM1 P05362 1/20 0.39
SELE P16581 1/20 0.39
VCAM1 P19320 1/20 0.39
ADRB2 P07550 3/20 0.38
ADRB1 P08588 3/20 0.38
LMNA P02545 2/20 0.38
ADRB3 P13945 1/20 0.38
SLC6A2 P23975 1/20 0.38
BDKRB2 P30411 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
HTR2B P41595 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL2047248 0.85 GABRA1 (0.40) ALDH1A1ADRA2CADRA2AADRA2BLMNA
SCHEMBL2045004 0.84 ADRA2A (0.39) ALDH1A1ADRA2CADRA2AADRA2BHTR1A
SCHEMBL2046329 0.83 KMT2A (0.40) ALDH1A1SLC6A2SLC6A4MAPT
SCHEMBL2051836 0.81 SLC6A2 (0.41) ADRA2CADRA2AADRA2BHTR1ASLC6A2
SCHEMBL2047065 0.81 RECQL (0.36) ALDH1A1KCNH2LMNASLC6A2SLC6A4
SCHEMBL2047668 0.80 CYP3A4 (0.43) ALDH1A1LMNACYP1A2TSHRTP53
SCHEMBL2049044 0.80 GABRA1 (0.39) ALDH1A1KCNH2SLC6A2SLC6A4KDM4E
SCHEMBL2045691 0.79 ALOX5 (0.40) SLC6A2SLC6A4
SCHEMBL2047844 0.79 HTR1A (0.42) ADRA2CADRA2AADRA2BHTR1AKCNH2
SCHEMBL2045116 0.79 CAMK2A (0.33) ALDH1A1KCNH2SLC6A2SLC6A4CYP1A2

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 447/4885ADRA2C 233/4885ADRA2A 465/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 ALDH1A1 762/4885ADRA2C 406/4885ADRA2A 747/4885

“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.