SCHEMBL1153742

SCHEMBL1153742

CCc1cc(Cl)cc(OC)c1-c1c(O)c(C)c(-c2cccnc2)oc1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 2/20 0.39
ERN1 O75460 1/20 0.39
KDM4E B2RXH2 2/20 0.37
MAOB P27338 2/20 0.37
MEN1 O00255 1/20 0.37
PPARG P37231 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 1/20 0.37
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CYP19A1 P11511 2/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
CYP17A1 P05093 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
MAPK1 P28482 2/20 0.36
HSD17B10 Q99714 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
SCHEMBL12702906 0.85 CHRM2 (0.34) ACLYKDM4EMEN1PPARGKMT2A
SCHEMBL1812246 0.84 MAOB (0.41) ACLYERN1KDM4EMAOBMEN1
SCHEMBL1476544 0.81 ACLY (0.40) ACLYMAOBCYP1A2CYP3A4CYP2C9
SCHEMBL812046 0.77 NPC1 (0.41) ACLYKDM4EMAOBMEN1KMT2A
SCHEMBL3176584 0.74 MAOA (0.41) ACLYKDM4EMAOBCYP1A2CYP3A4
SCHEMBL13097105 0.72 ABL1 (0.37) ACLYKDM4EMAOBKMT2ACYP1A2
SCHEMBL2434431 0.71 MAOA (0.43) ACLYMAOBCYP3A4CYP2C9CYP2C19
SCHEMBL810958 0.70 CYP17A1 (0.41) ACLYKDM4EMAOBCYP19A1CYP11B1
SCHEMBL6208131 0.70 CYP17A1 (0.39) ACLYERN1KDM4EMAOBCYP1A2
SCHEMBL12269931 0.70 LMNA (0.36) ACLYKDM4EMAOBMEN1PPARG

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606254-B1 2,4,6-PHENYL SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2011-05-11 EP disclosed
EP-1606254-B1 2,4,6-PHENYL SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2011-05-11 EP disclosed
US-20110092368-A1 2,4,6-Phenyl-substituted cyclic ketoenols FISCHER REINER 2011-04-21 US disclosed
US-20110092368-A1 2,4,6-Phenyl-substituted cyclic ketoenols FISCHER REINER 2011-04-21 US disclosed
US-20110092368-A1 2,4,6-Phenyl-substituted cyclic ketoenols FISCHER REINER 2011-04-21 US disclosed
US-7888285-B2 2,4,6-phenyl substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2011-02-15 US disclosed
US-7888285-B2 2,4,6-phenyl substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2011-02-15 US disclosed
US-7888285-B2 2,4,6-phenyl substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2011-02-15 US disclosed
US-20070015664-A1 2,4,6-Phenyl substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2007-01-18 US disclosed
US-20070015664-A1 2,4,6-Phenyl substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2007-01-18 US disclosed
US-20070015664-A1 2,4,6-Phenyl substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2007-01-18 US disclosed
EP-1606254-A1 2,4,6-PHENYL SUBSTITUTED CYCLIC KETOENOLS Bayer CropScience AG (DE) 2005-12-21 EP disclosed
WO-2004080962-A1 2,4,6-PHENYL SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-09-23 WO 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-20070015664-A1 2,4,6-Phenyl substituted cyclic ketoenols CYP4X1, KDM4E, KCNE1 ACLY 316/4885ERN1 2587/4885KDM4E 2/4885
US-20110092368-A1 2,4,6-Phenyl-substituted cyclic ketoenols CYP4X1, KDM4E, PDHX ACLY 360/4885ERN1 2748/4885KDM4E 2/4885

“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.