SCHEMBL1901580

SCHEMBL1901580

CCc1cc(Cl)cc(OC)c1C1=C(O)C(C)(C2CC2)NC1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
ACACB O00763 5/20 0.35
ACACA Q13085 5/20 0.35
ADAM17 P78536 4/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
ADAMTS5 Q9UNA0 2/20 0.31
PLK4 O00444 1/20 0.31
CHEK1 O14757 1/20 0.31
AURKA O14965 1/20 0.31
NTRK1 P04629 1/20 0.31
LCK P06239 1/20 0.31
CDK1 P06493 1/20 0.31
CSF1R P07333 1/20 0.31
PIM1 P11309 1/20 0.31
RPS6KB1 P23443 1/20 0.31
CDK2 P24941 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
SCHEMBL13070828 0.89 KMT2A (0.33) GSK3BCDK4CCND1ACACBACACA
SCHEMBL13960141 0.88 GSK3B (0.36) GSK3BCDK4CCND1ACACBACACA
SCHEMBL1900642 0.83 GSK3B (0.39) GSK3BCDK4CCND1ACACBACACA
SCHEMBL12858732 0.82 ERN1 (0.33) L3MBTL1ERN1
SCHEMBL4439032 0.81 ACACB (0.35) GSK3BACACBACACAADAM17GSK3A
SCHEMBL12724985 0.81 ACACB (0.46) GSK3BCDK4CCND1ACACBACACA
SCHEMBL9883908 0.80 ALDH1A1 (0.34) ALDH1A1LMNAKMT2A
SCHEMBL1898467 0.80 ACACB (0.51) GSK3BCDK4CCND1ACACBACACA
SCHEMBL13698883 0.79 L3MBTL1 (0.31) L3MBTL1
SCHEMBL13168029 0.77 KMT2A (0.32) ALDH1A1LMNAKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093542-A1 HERBICIDE COMBINATION COMPRISING DIMETHOXYTRIAZINYL SUBSTITUTED DIFLUOROMETHANESULFONYLANILIDES BAYER CORPSCIENCE AG (DE) 2010-04-15 US claimed
CN-102186348-A Herbicidal combination comprising dimethoxytriazinyl-substituted difluoromethanesulfonylanilines BAYER CROPSCIENCE AG 2011-09-14 CN disclosed
EP-2320735-A2 HERBICIDAL COMBINATION WITH DIMETHOXY-TRIAZINYL-SUBSTITUTED DIFLUOROMETHANE SULFONYLANILIDES Bayer CropScience AG (DE) 2011-05-18 EP disclosed
EP-2320735-A2 HERBICIDAL COMBINATION WITH DIMETHOXY-TRIAZINYL-SUBSTITUTED DIFLUOROMETHANE SULFONYLANILIDES Bayer CropScience AG (DE) 2011-05-18 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-7888285-B2 2,4,6-phenyl substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2011-02-15 US disclosed
WO-2010017923-A3 HERBICIDAL COMBINATION WITH DIMETHOXY-TRIAZINYL-SUBSTITUTED DIFLUOROMETHANE SULFONYLANILIDES BAYER CROPSCIENCE AG (DE) 2010-11-04 WO disclosed
US-20100093542-A1 HERBICIDE COMBINATION COMPRISING DIMETHOXYTRIAZINYL SUBSTITUTED DIFLUOROMETHANESULFONYLANILIDES BAYER CORPSCIENCE AG (DE) 2010-04-15 US disclosed
US-20100093542-A1 HERBICIDE COMBINATION COMPRISING DIMETHOXYTRIAZINYL SUBSTITUTED DIFLUOROMETHANESULFONYLANILIDES BAYER CORPSCIENCE AG (DE) 2010-04-15 US disclosed
WO-2010017923-A2 HERBICIDAL COMBINATION WITH DIMETHOXY-TRIAZINYL-SUBSTITUTED DIFLUOROMETHANE SULFONYLANILIDES BAYER CROPSCIENCE AG (DE) 2010-02-18 WO disclosed
WO-2010017923-A2 HERBICIDAL COMBINATION WITH DIMETHOXY-TRIAZINYL-SUBSTITUTED DIFLUOROMETHANE SULFONYLANILIDES BAYER CROPSCIENCE AG (DE) 2010-02-18 WO disclosed
EP-2014169-A1 Water-soluble concentrates of 3-(2-alkoxy 4-chlorine-6-alkyl-phenyl)-substituted tetramates with their corresponding enols Bayer CropScience AG (DE) 2009-01-14 EP disclosed
US-20070015664-A1 2,4,6-Phenyl substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2007-01-18 US 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-20070015664-A1 2,4,6-Phenyl substituted cyclic ketoenols CYP4X1, KDM4E, KCNE1 GSK3B 138/4885CDK4 458/4885CCND1 781/4885
US-20110092368-A1 2,4,6-Phenyl-substituted cyclic ketoenols CYP4X1, KDM4E, PDHX GSK3B 201/4885CDK4 432/4885CCND1 777/4885
US-20100093542-A1 HERBICIDE COMBINATION COMPRISING DIMETHOXYTRIAZINYL SUBSTITUTED DIFLUOROMETHANESULFONYLANILIDES DDT, B2M, THRB GSK3B 1941/4885CDK4 749/4885CCND1 670/4885

“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.