SCHEMBL2886584

SCHEMBL2886584

CCc1cc(C)cc(C)c1C1C(=O)NC2(CCC(OC)CC2)C1=O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.33
ACACA Q13085 3/20 0.33
DPP4 P27487 1/20 0.30
BACE1 P56817 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
KMT2A Q03164 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
SCHEMBL3076232 0.94 ACACB (0.32) ACACBACACADPP4BACE1CHRM2
SCHEMBL5435809 0.89 BACE1 (0.32) ACACBACACABACE1
SCHEMBL2996875 0.89 CNR2 (0.31) ACACBACACAKMT2A
SCHEMBL2889210 0.84 KMT2A (0.41) KMT2A
SCHEMBL5432156 0.84 BACE1 (0.36) BACE1
SCHEMBL5429034 0.84 DPP4 (0.37) ACACBACACADPP4BACE1
SCHEMBL3077698 0.81 THRB (0.37) KMT2A
SCHEMBL2888125 0.78 ACACB (0.34) ACACBACACADPP4BACE1KMT2A
SCHEMBL1344157 0.78 ACACB (0.39) ACACBACACADPP4BACE1
SCHEMBL9410107 0.78 NPC1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7727933-B2 2-ethyl-4,6-dimethyl-phenyl-substituted spirocyclic tetramic acid derivatives BAYER CROPSCIENCE AG (DE) 2010-06-01 US disclosed
US-20070298969-A1 2-Ethyl-4,6-Dimethyl-Phenyl-Substituted Spirocyclic Tetramic Acid Derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFF (DE) 2007-12-27 US disclosed
EP-1687272-A1 2-ETHYL-4,6-DIMETHYL-PHENYL-SUBSTITUTED SPIROCYCLIC TETRAMIC ACID DERIVATIVES Bayer CropScience AG (DE) 2006-08-09 EP disclosed
WO-2005049569-A1 2-ETHYL-4,6-DIMETHYL-PHENYL-SUBSTITUTED SPIROCYCLIC TETRAMIC ACID DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-06-02 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 (1 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-20070298969-A1 2-Ethyl-4,6-Dimethyl-Phenyl-Substituted Spirocyclic Tetramic Acid Derivatives DDT, PKD2, CYP2D6 ACACB 1784/4885ACACA 1730/4885DPP4 73/4885

“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.