SCHEMBL2045004

SCHEMBL2045004

C=CCc1ccccc1Oc1nnc(Cl)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.39
ADRA2B P18089 4/20 0.39
ADRA2C P18825 4/20 0.39
HTR1A P08908 3/20 0.39
KCNH2 Q12809 2/20 0.39
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
ALDH1A1 P00352 4/20 0.37
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
ICAM1 P05362 1/20 0.37
SELE P16581 1/20 0.37
VCAM1 P19320 1/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
TP53 P04637 1/20 0.37
NISCH Q9Y2I1 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL2047896 0.84 ALDH1A1 (0.40) ADRA2AADRA2BADRA2CHTR1AKCNH2
SCHEMBL29890976 0.76 IDO1 (0.52) ADRA2CHTR1AKCNH2SLC6A2SLC6A4
SCHEMBL592331 0.76 IDO1 (0.52) ADRA2CHTR1AKCNH2SLC6A2SLC6A4
SCHEMBL2046805 0.76 RAB9A (0.47) ALDH1A1LMNA
SCHEMBL19364335 0.75 CYP3A4 (0.36) ALDH1A1MAPTTDP1PPARGPPARD
Ethylene SCHEMBL21360008 0.75 IDO1 (0.50) ADRA2CHTR1AKCNH2SLC6A2SLC6A4
Bromide SCHEMBL28225208 0.75 IDO1 (0.50) ADRA2CHTR1AKCNH2SLC6A2SLC6A4
SCHEMBL2046765 0.75 ALDH1A1 (0.52) ADRA2BALDH1A1MAPTTDP1LMNA
SCHEMBL2051697 0.75 TP53 (0.52) ALDH1A1MAPTTP53LMNA
SCHEMBL88415 0.73 ALDH1A1 (0.50) ADRA2AADRA2BADRA2CHTR1AKCNH2

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 ADRA2A 465/4885ADRA2B 736/4885ADRA2C 233/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 ADRA2A 747/4885ADRA2B 1077/4885ADRA2C 406/4885

“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.