SCHEMBL1812246

SCHEMBL1812246

COc1cc(C)cc(Cl)c1-c1c(O)c(C)c(-c2cccnc2)oc1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.41
ACLY P53396 4/20 0.40
ERN1 O75460 1/20 0.40
MAOA P21397 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
PPARG P37231 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP17A1 P05093 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
LMNA P02545 1/20 0.38
CTSD P07339 1/20 0.37
BACE1 P56817 1/20 0.37
BACE2 Q9Y5Z0 1/20 0.37
MAPK1 P28482 2/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL1153742 0.84 ACLY (0.39) MAOBACLYERN1MAOAKDM4E
SCHEMBL12269931 0.84 LMNA (0.36) MAOBACLYMAOAKDM4EMEN1
SCHEMBL1476544 0.76 ACLY (0.40) MAOBACLYMAOALMNAPOLB
SCHEMBL812046 0.76 NPC1 (0.41) MAOBACLYMAOAKDM4EMEN1
SCHEMBL3176584 0.76 MAOA (0.41) MAOBACLYMAOAKDM4ECYP19A1
SCHEMBL6306172 0.74 ACLY (0.49) MAOBACLYMAOAKDM4EMEN1
SCHEMBL810958 0.73 CYP17A1 (0.41) MAOBACLYMAOAKDM4ECYP17A1
SCHEMBL6208131 0.73 CYP17A1 (0.39) MAOBACLYERN1MAOAKDM4E
SCHEMBL5232820 0.73 MAOA (0.48) MAOBACLYMAOAKDM4EHSD17B10
SCHEMBL2434431 0.72 MAOA (0.43) MAOBACLYMAOACYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110213160-A1 2,4,6-Phenyl-Substituted Derivatives BAYER CROPSCIENCE AG (DE) 2011-09-01 US disclosed
US-20110213160-A1 2,4,6-Phenyl-Substituted Derivatives BAYER CROPSCIENCE AG (DE) 2011-09-01 US disclosed
US-20110213160-A1 2,4,6-Phenyl-Substituted Derivatives BAYER CROPSCIENCE AG (DE) 2011-09-01 US disclosed
US-20110195842-A1 2,4,6-Phenyl-Substituted Cyclic Ketoenols BAYER CROPSCIENCE AG (DE) 2011-08-11 US disclosed
US-20110195842-A1 2,4,6-Phenyl-Substituted Cyclic Ketoenols BAYER CROPSCIENCE AG (DE) 2011-08-11 US disclosed
US-20110195842-A1 2,4,6-Phenyl-Substituted Cyclic Ketoenols BAYER CROPSCIENCE AG (DE) 2011-08-11 US disclosed
US-7947704-B2 2,4,6-phenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2011-05-24 US disclosed
US-7947704-B2 2,4,6-phenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2011-05-24 US disclosed
US-7947704-B2 2,4,6-phenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2011-05-24 US disclosed
US-20070298968-A1 2,4,6-Phenyl-Substituted Cyclic Ketoenols BAYER CROPSCIENCE AG (DE) 2007-12-27 US disclosed
US-20070298968-A1 2,4,6-Phenyl-Substituted Cyclic Ketoenols BAYER CROPSCIENCE AG (DE) 2007-12-27 US disclosed
US-20070298968-A1 2,4,6-Phenyl-Substituted Cyclic Ketoenols BAYER CROPSCIENCE AG (DE) 2007-12-27 US disclosed
EP-1732930-A2 2,4,6-PHENYLSUBSTITUTED CYCLIC KETOENOLES Bayer CropScience Aktiengesellschaft (DE) 2006-12-20 EP disclosed
WO-2005092897-A2 2,4,6-PHENYLSUBSTITUTED CYCLIC KETOENOLES BAYER CROPSCIENCE AG (DE) 2005-10-06 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 (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-20070298968-A1 2,4,6-Phenyl-Substituted Cyclic Ketoenols CYP4X1, KCNE1, KDM4E MAOB 3415/4885ACLY 352/4885ERN1 2024/4885
US-20110195842-A1 2,4,6-Phenyl-Substituted Cyclic Ketoenols CYP4X1, KCNE1, KDM4E MAOB 3415/4885ACLY 352/4885ERN1 2024/4885
US-20110213160-A1 2,4,6-Phenyl-Substituted Derivatives CYP4X1, KDM4E, KCNE1 MAOB 3192/4885ACLY 521/4885ERN1 2318/4885

“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.