SCHEMBL2051901

SCHEMBL2051901

[O]c1cccc(F)c1C1CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.47
HTR1A P08908 5/20 0.41
SLC6A2 P23975 5/20 0.41
SLC6A4 P31645 5/20 0.41
SLC6A3 Q01959 5/20 0.41
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
OPRL1 P41146 5/20 0.38
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
HCRTR2 O43614 1/20 0.34
LDHA P00338 1/20 0.33
LDHB P07195 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
SCHEMBL10994234 0.84 ABCB1 (0.60) ABCB1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL14128674 0.78 ABCB1 (0.47) ABCB1HTR1ASLC6A2SLC6A4SLC6A3
Bicarbonate SCHEMBL9363462 0.78 ABCB1 (0.51) ABCB1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL24685527 0.75 ABCB1 (0.56) ABCB1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL2045825 0.74 MAP3K14 (0.39) HTR2CLDHALDHB
SCHEMBL2044126 0.74 OPRL1 (0.40) SLC6A3OPRL1LDHALDHB
SCHEMBL16950776 0.74 ABCB1 (0.47) ABCB1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL10530664 0.74 OPRL1 (0.59) ABCB1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL31518094 0.74 ABCB1 (0.47) ABCB1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL5256116 0.74 ABCB1 (0.47) ABCB1HTR1ASLC6A2SLC6A4SLC6A3

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 ABCB1 1880/4885HTR1A 1326/4885SLC6A2 3620/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 ABCB1 2132/4885HTR1A 2135/4885SLC6A2 3617/4885

“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.