SCHEMBL2049044

SCHEMBL2049044

CC(C)Cc1ccccc1Oc1nnc(Cl)cc1O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
PPARA Q07869 1/20 0.34
SLC6A4 P31645 6/20 0.33
SLC6A2 P23975 5/20 0.33
SLC6A3 Q01959 5/20 0.33
HTR2A P28223 2/20 0.32
KCNH2 Q12809 2/20 0.32
CXCL8 P10145 1/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CAMK2A Q9UQM7 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL2046329 0.85 KMT2A (0.40) SLC6A4SLC6A2SLC6A3CXCL8ALDH1A1
SCHEMBL2047065 0.82 RECQL (0.36) GABRA1GABRB2SLC6A4SLC6A2SLC6A3
SCHEMBL2051836 0.82 SLC6A2 (0.41) SLC6A4SLC6A2SLC6A3
SCHEMBL2047668 0.81 CYP3A4 (0.43) HPGDHSD17B10ALDH1A1L3MBTL1
SCHEMBL2047896 0.80 ALDH1A1 (0.40) SLC6A4SLC6A2KCNH2KDM4EALDH1A1
SCHEMBL2045116 0.80 CAMK2A (0.33) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL2045691 0.80 ALOX5 (0.40) SLC6A4SLC6A2SLC6A3
SCHEMBL2047844 0.80 HTR1A (0.42) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL2048850 0.79 TP53 (0.42) KDM4EHPGDHSD17B10ALDH1A1RAB9A
SCHEMBL2049335 0.79 ALOX5 (0.45) PPARA

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 5 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
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 GABRA1 2526/4885GABRB2 2376/4885PPARA 193/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 GABRA1 2555/4885GABRB2 2291/4885PPARA 166/4885

“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.