SCHEMBL1900642

SCHEMBL1900642

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
ERN1 O75460 1/20 0.35
GSK3A P49840 3/20 0.34
PLK4 O00444 1/20 0.34
CHEK1 O14757 1/20 0.34
AURKA O14965 1/20 0.34
NTRK1 P04629 1/20 0.34
LCK P06239 1/20 0.34
CDK1 P06493 1/20 0.34
CSF1R P07333 1/20 0.34
PIM1 P11309 1/20 0.34
RPS6KB1 P23443 1/20 0.34
CDK2 P24941 1/20 0.34
MARK3 P27448 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
CSNK1D P48730 1/20 0.34
MAPKAPK2 P49137 1/20 0.34

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
SCHEMBL13960144 0.86 GSK3B (0.40) GSK3BCDK4CCND1GSK3APLK4
SCHEMBL12658142 0.84 ACACB (0.39) GSK3BCDK4CCND1ERN1GSK3A
SCHEMBL1901580 0.83 GSK3B (0.35) GSK3BCDK4CCND1ERN1GSK3A
SCHEMBL12658140 0.82 ALDH1A1 (0.33) ALDH1A1
SCHEMBL12658245 0.80 GSK3B (0.34) GSK3BCDK4CCND1GSK3APLK4
SCHEMBL12658337 0.80 CNR2 (0.36) GSK3BCDK4CCND1GSK3APLK4
SCHEMBL12724985 0.79 ACACB (0.46) GSK3BCDK4CCND1ACACBACACA
SCHEMBL1898467 0.79 ACACB (0.51) GSK3BCDK4CCND1ACACBACACA
SCHEMBL10230210 0.78 SLK (0.36) GSK3BCDK4CCND1ERN1GSK3A
SCHEMBL12658359 0.77 ERN1 (0.35) GSK3BCDK4CCND1ERN1GSK3A

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2320735-A2 HERBICIDAL COMBINATION WITH DIMETHOXY-TRIAZINYL-SUBSTITUTED DIFLUOROMETHANE SULFONYLANILIDES Bayer CropScience AG (DE) 2011-05-18 EP claimed
US-20100304971-A1 HERBICIDAL COMBINATION BAYER CROPSCIENCE AG (DE) 2010-12-02 US claimed
EP-2205092-A2 HERBICIDAL COMBINATION Bayer CropScience AG (DE) 2010-07-14 EP claimed
US-20100093542-A1 HERBICIDE COMBINATION COMPRISING DIMETHOXYTRIAZINYL SUBSTITUTED DIFLUOROMETHANESULFONYLANILIDES BAYER CORPSCIENCE AG (DE) 2010-04-15 US claimed
WO-2010017923-A2 HERBICIDAL COMBINATION WITH DIMETHOXY-TRIAZINYL-SUBSTITUTED DIFLUOROMETHANE SULFONYLANILIDES BAYER CROPSCIENCE AG (DE) 2010-02-18 WO claimed
WO-2009053053-A2 HERBICIDAL COMBINATION BAYER CROPSCIENCE AG (DE) 2009-04-30 WO 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
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
WO-2010017923-A2 HERBICIDAL COMBINATION WITH DIMETHOXY-TRIAZINYL-SUBSTITUTED DIFLUOROMETHANE SULFONYLANILIDES BAYER CROPSCIENCE AG (DE) 2010-02-18 WO disclosed
WO-2009053053-A2 HERBICIDAL COMBINATION BAYER CROPSCIENCE AG (DE) 2009-04-30 WO disclosed
WO-2009053053-A2 HERBICIDAL COMBINATION BAYER CROPSCIENCE AG (DE) 2009-04-30 WO disclosed
WO-2008138551-A2 3-(2-ALKOXY-PHENYL)-SUBSTITUTED TETRAMATES BAYER CROPSCIENCE AG (DE) 2008-11-20 WO disclosed
EP-1992614-A1 3-(2-Alkoxy-phenyl)-substituted tetramates Bayer CropScience Aktiengesellschaft (DE) 2008-11-19 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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
US-20100304971-A1 HERBICIDAL COMBINATION DDT, AADAC, CYP1B1 GSK3B 2155/4885CDK4 449/4885CCND1 2068/4885

“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.