SCHEMBL2429892

SCHEMBL2429892

CCc1cc(C)cc(C2CC2)c1CC(=O)Cl

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.33
KDM4C Q9H3R0 1/20 0.32
GSK3B P49841 1/20 0.31
S1PR1 P21453 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
SCHEMBL509185 0.86 PTGDR2 (0.39) PTGDR2KDM4C
SCHEMBL2428979 0.82 KDM4E (0.38) PTGDR2KDM4C
SCHEMBL466415 0.82 GSK3B (0.35) GSK3B
SCHEMBL1224619 0.81 ACVRL1 (0.33) PTGDR2KDM4C
SCHEMBL12298722 0.77 PTGDR2 (0.36) PTGDR2
SCHEMBL10309319 0.77 PTGDR2 (0.36) PTGDR2
SCHEMBL13358858 0.74 PTGDR2 (0.34) PTGDR2
SCHEMBL10309317 0.74 PTGDR2 (0.34) PTGDR2
SCHEMBL12298721 0.74 PTGDR2 (0.34) PTGDR2
SCHEMBL10309326 0.73 KMT2A (0.33) PTGDR2

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 18 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
US-8541617-B2 Cycloalkylphenyl substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2013-09-24 US disclosed
US-8541617-B2 Cycloalkylphenyl substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2013-09-24 US disclosed
CN-101421218-B Cycloalkyl-phenylsubstituierte cyclische ketoenole BAYER CROPSCIENCE AG 2012-12-19 CN disclosed
US-20120178927-A1 CYCLOALKYLPHENYL SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2012-07-12 US disclosed
US-20120178927-A1 CYCLOALKYLPHENYL SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2012-07-12 US 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
US-8013172-B2 Cycloalkylphenyl substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2011-09-06 US 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
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
US-20090305891-A1 CYCLOALKYLPHENYL SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2009-12-10 US disclosed
CN-101421218-A Cycloalkyl-phenylsubstituierte cyclische ketoenole BAYER CROPSCIENCE AG (DE) 2009-04-29 CN 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 PTGDR2 3208/4885KDM4C 94/4885GSK3B 980/4885
US-20090305891-A1 CYCLOALKYLPHENYL SUBSTITUTED CYCLIC KETOENOLS PHYKPL, KCNE1, PKM PTGDR2 2968/4885KDM4C 124/4885GSK3B 917/4885

“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.