SCHEMBL13070822

SCHEMBL13070822

CCc1cc(C)cc(OC)c1C1=C(O)C2(CCC(OC)CC2)NC1=O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACACB O00763 13/20 0.48
ACACA Q13085 13/20 0.48
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
GSK3B P49841 1/20 0.31
BACE1 P56817 2/20 0.30
GRM1 Q13255 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
SCHEMBL13096250 0.92 ACACB (0.50) ACACBACACABACE1GRM1
SCHEMBL14129223 0.92 ACACB (0.45) ACACBACACABACE1GRM1
SCHEMBL13328259 0.91 ACACB (0.41) ACACBACACA
SCHEMBL1898467 0.90 ACACB (0.51) ACACBACACACDK4CCND1GSK3B
SCHEMBL13071298 0.90 ACACB (0.46) ACACBACACACDK4CCND1GSK3B
SCHEMBL13288540 0.89 ACACB (0.50) ACACBACACABACE1GRM1
SCHEMBL13071296 0.88 ACACB (0.42) ACACBACACACDK4CCND1GSK3B
SCHEMBL14490553 0.88 ACACB (0.46) ACACBACACABACE1
SCHEMBL13070875 0.87 ACACB (0.37) ACACBACACA
SCHEMBL13255226 0.87 ACACB (0.39) ACACBACACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2253207-A1 Substituted phenyl acetic acid esters Bayer CropScience AG (DE) 2010-11-24 EP disclosed
EP-2216316-A1 Phenyl acetic acid derivatives Bayer CropScience Aktiengesellschaft (DE) 2010-08-11 EP disclosed
EP-2216317-A1 Phenyl acetic acid halogenides Bayer CropScience AG (DE) 2010-08-11 EP disclosed
US-20100174084-A1 2-Alkoxy-6-alkyl-phenyl-substituted Spirocyclic Tetramic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2010-07-08 US disclosed
US-20100174084-A1 2-Alkoxy-6-alkyl-phenyl-substituted Spirocyclic Tetramic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2010-07-08 US disclosed
US-7718186-B2 2-alkoxy-6-alkylphenyl-substituted spirocyclic tetramic acid derivatives BAYER CROPSCIENCE AG (DE) 2010-05-18 US disclosed
US-7718186-B2 2-alkoxy-6-alkylphenyl-substituted spirocyclic tetramic acid derivatives BAYER CROPSCIENCE AG (DE) 2010-05-18 US disclosed
US-20080220973-A1 2-Alkoxy-6-Alkyl-Phenyl-Substituted Spirocyclic Tetramic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2008-09-11 US disclosed
US-20080220973-A1 2-Alkoxy-6-Alkyl-Phenyl-Substituted Spirocyclic Tetramic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2008-09-11 US disclosed
US-20080167188-A1 Herbicide Combinations Comprising Special Ketoenoles BAYER CROPSCIENCE AG (DE) 2008-07-10 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-20080220973-A1 2-Alkoxy-6-Alkyl-Phenyl-Substituted Spirocyclic Tetramic Acid Derivatives DDT, PAOX, PTPRG ACACB 509/4885ACACA 617/4885CDK4 2510/4885
US-20080167188-A1 Herbicide Combinations Comprising Special Ketoenoles DDT, NOTUM, CA3 ACACB 190/4885ACACA 396/4885CDK4 1161/4885
US-20100174084-A1 2-Alkoxy-6-alkyl-phenyl-substituted Spirocyclic Tetramic Acid Derivatives DDT, PAOX, PTPRG ACACB 509/4885ACACA 617/4885CDK4 2510/4885

“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.