SCHEMBL3244095

SCHEMBL3244095

CCOC(=O)OC1=C(c2c(C)cc(C3CC3)cc2CC)C(=O)NC12CCC(OC)CC2

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.37
ACACA Q13085 2/20 0.37
GRM1 Q13255 1/20 0.31

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
SCHEMBL13527320 0.90 ACACB (0.38) ACACBACACAGRM1
SCHEMBL15489242 0.89 ACACB (0.38) ACACBACACAGRM1
SCHEMBL14372100 0.88 ACACB (0.37) ACACBACACAGRM1
SCHEMBL13105612 0.87 ACACB (0.38) ACACBACACAGRM1
SCHEMBL20279353 0.85 ACACB (0.35) ACACBACACA
SCHEMBL18753214 0.83 ACACB (0.37) ACACBACACA
SCHEMBL13002839 0.83 ACACB (0.37) ACACBACACA
SCHEMBL2759779 0.82 ADAM17 (0.32) ACACBACACA
SCHEMBL14129268 0.82 ACACB (0.35) ACACBACACAGRM1
SCHEMBL13698887 0.82 ACACB (0.40) ACACBACACAGRM1

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-8541617-B2 Cycloalkylphenyl substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2013-09-24 US disclosed
EP-1989162-B1 CYCLOALKYLPHENYL SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2013-07-03 EP disclosed
US-20120178927-A1 CYCLOALKYLPHENYL SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2012-07-12 US disclosed
US-8013172-B2 Cycloalkylphenyl substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2011-09-06 US disclosed
US-8013172-B2 Cycloalkylphenyl substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2011-09-06 US disclosed
EP-2186805-A1 Cycloalkyl-phenyl-substituted cyclic ketoenoles Bayer CropScience AG (DE) 2010-05-19 EP disclosed
EP-2186791-A1 Cycloalkyl-phenyl-substituted cyclic ketoenoles Bayer CropScience AG (DE) 2010-05-19 EP disclosed
EP-2186791-A1 Cycloalkyl-phenyl-substituted cyclic ketoenoles Bayer CropScience AG (DE) 2010-05-19 EP disclosed
EP-2186805-A1 Cycloalkyl-phenyl-substituted cyclic ketoenoles Bayer CropScience AG (DE) 2010-05-19 EP disclosed
EP-2184275-A1 Cycloalkyl-phenyl-substituted cyclic ketoenoles Bayer CropScience AG (DE) 2010-05-12 EP disclosed
EP-2184275-A1 Cycloalkyl-phenyl-substituted cyclic ketoenoles Bayer CropScience AG (DE) 2010-05-12 EP disclosed
US-20090305891-A1 CYCLOALKYLPHENYL SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2009-12-10 US disclosed
US-20090305891-A1 CYCLOALKYLPHENYL SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2009-12-10 US disclosed
WO-2007096058-A1 CYCLOALKYLPHENYL SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2007-08-30 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-20120178927-A1 CYCLOALKYLPHENYL SUBSTITUTED CYCLIC KETOENOLS PHYKPL, KCNE1, PIKFYVE ACACB 698/4885ACACA 641/4885GRM1 1291/4885
US-20090305891-A1 CYCLOALKYLPHENYL SUBSTITUTED CYCLIC KETOENOLS PHYKPL, KCNE1, PKM ACACB 742/4885ACACA 740/4885GRM1 1331/4885

“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.