SCHEMBL2051240

SCHEMBL2051240

O=[C]c1cccc(C2CC2)c1F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.38
PDK2 Q15119 1/20 0.33
PDK4 Q16654 1/20 0.33
HCRTR2 O43614 2/20 0.33
TAS1R3 Q7RTX0 3/20 0.32
TAS1R1 Q7RTX1 3/20 0.32
TAS1R2 Q8TE23 2/20 0.32
OPRL1 P41146 1/20 0.32
PTGS2 P35354 1/20 0.31
KMT2A Q03164 1/20 0.31
USP30 Q70CQ3 1/20 0.30
RBP4 P02753 1/20 0.30
HTR1A P08908 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
ABCB1 P08183 1/20 0.30
IDO1 P14902 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL16951180 0.81 NOTUM (0.35) NOTUMPDK2PDK4OPRL1HTR1A
SCHEMBL29209742 0.81 OPRL1 (0.39) NOTUMHCRTR2OPRL1KMT2ASLC6A2
SCHEMBL30881887 0.81 OPRL1 (0.39) NOTUMHCRTR2OPRL1KMT2ASLC6A2
SCHEMBL2045879 0.79 RBP4 (0.37) NOTUMPDK2PDK4HCRTR2KMT2A
SCHEMBL2050408 0.77 OPRL1 (0.35) NOTUMPDK2PDK4TAS1R3TAS1R1
SCHEMBL2047771 0.77 HTR2C (0.44) NOTUMPDK2PDK4OPRL1
SCHEMBL28604214 0.77 PDCD1 (0.42) OPRL1PTGS2KMT2AHTR1A
SCHEMBL5075574 0.74 PTGDR2 (0.46) PTGS2KMT2A
SCHEMBL2051902 0.74 NOTUM (0.40) NOTUMPDK2PDK4HCRTR2TAS1R3
SCHEMBL2051237 0.73 ABCB1 (0.44) HCRTR2OPRL1HTR1ASLC6A2SLC6A4

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 NOTUM 3077/4885PDK2 1382/4885PDK4 897/4885
US-20100041555-A1 3-Phenoxy-4-pyridazinol derivatives and herbicidal composition containing the same CBR3, DDT, CBR1 NOTUM 1194/4885PDK2 138/4885PDK4 216/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 NOTUM 1179/4885PDK2 164/4885PDK4 154/4885

“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.