SCHEMBL2051237

SCHEMBL2051237

O=[C]c1cccc(F)c1C1CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.44
OPRL1 P41146 6/20 0.38
HTR1A P08908 5/20 0.38
SLC6A2 P23975 5/20 0.38
SLC6A4 P31645 5/20 0.38
SLC6A3 Q01959 5/20 0.38
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
GRM2 Q14416 1/20 0.33
HCRTR2 O43614 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 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
SCHEMBL2050410 0.81 OPRL1 (0.37) OPRL1SLC6A3
SCHEMBL16958692 0.81 ABCB1 (0.44) ABCB1OPRL1HTR1ASLC6A2SLC6A4
SCHEMBL10994234 0.79 ABCB1 (0.60) ABCB1OPRL1HTR1ASLC6A2SLC6A4
SCHEMBL2047770 0.77 MAP3K14 (0.36) OPRL1HTR2C
Bicarbonate SCHEMBL9363462 0.74 ABCB1 (0.51) ABCB1OPRL1HTR1ASLC6A2SLC6A4
SCHEMBL2051901 0.74 ABCB1 (0.47) ABCB1OPRL1HTR1ASLC6A2SLC6A4
SCHEMBL10530664 0.74 OPRL1 (0.59) ABCB1OPRL1HTR1ASLC6A2SLC6A4
SCHEMBL2051240 0.73 NOTUM (0.38) ABCB1OPRL1HTR1ASLC6A2SLC6A4
SCHEMBL24685527 0.70 ABCB1 (0.56) ABCB1OPRL1HTR1ASLC6A2SLC6A4
SCHEMBL357469 0.70 CES2 (0.43) SLC6A2SLC6A4SLC6A3CES2CES1

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 10 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-7629494-B2 Process for producing cyclopropylphenol derivative MITSUI CHEMICALS AGRO, INC. (JP) 2009-12-08 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-20090054681-A1 Production Process of cyclopropylphenol derivatives SANKYO AGRO COMPANY, LIMITED (JP) 2009-02-26 US disclosed
EP-1880987-A1 PROCESS FOR PRODUCING CYCLOPROPYLPHENOL DERIVATIVE Sankyo Agro Company, Limited (JP) 2008-01-23 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 (3 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-20090054681-A1 Production Process of cyclopropylphenol derivatives CBR3, CYP4X1, CYP4A11 ABCB1 2707/4885OPRL1 3275/4885HTR1A 1032/4885
US-20100041555-A1 3-Phenoxy-4-pyridazinol derivatives and herbicidal composition containing the same CBR3, DDT, CBR1 ABCB1 1880/4885OPRL1 2472/4885HTR1A 1326/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 ABCB1 2132/4885OPRL1 1978/4885HTR1A 2135/4885

“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.