SCHEMBL3076232

SCHEMBL3076232

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

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.32
ACACA Q13085 3/20 0.32
DPP4 P27487 3/20 0.32
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
GRM1 Q13255 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
BACE1 P56817 3/20 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
SCHEMBL2886584 0.94 ACACB (0.33) ACACBACACADPP4CHRM2CHRM4
SCHEMBL2996875 0.92 CNR2 (0.31) ACACBACACA
SCHEMBL5435809 0.92 BACE1 (0.32) ACACBACACABACE1
SCHEMBL5432156 0.89 BACE1 (0.36) BACE1
SCHEMBL5429034 0.89 DPP4 (0.37) ACACBACACADPP4SLC6A4SLC6A3
SCHEMBL3077698 0.86 THRB (0.37)
SCHEMBL3001186 0.79 KMT2A (0.36)
SCHEMBL2889210 0.78 KMT2A (0.41)
SCHEMBL11028523 0.77 ACACB (0.39) ACACBACACADPP4CHRM2CHRM4
SCHEMBL2070159 0.77 ACACB (0.39) ACACBACACADPP4CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383853-B2 Method for preparing 2,6-diethyl-4-methylphenylacetic acid BAYER CROPSCIENCE AG (DE) 2013-02-26 US disclosed
US-20100261934-A1 Method for Preparing 2,6-Diethyl-4-Methylphenylacetic Acid BAYER CROPSCIENCE AG (DE) 2010-10-14 US disclosed
EP-2218710-A1 Procedure for the preparation of 2,6-diethyl-4-methylphenylacetic acid Bayer CropScience AG (DE) 2010-08-18 EP disclosed
US-20080318776-A1 2,6-Diethyl-4-Methylphenyl-Substituted Tetramic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2008-12-25 US disclosed
EP-1809635-A1 2,6-DIETHYL-4-METHYL-PHENYL-SUBSTITUTED TETRAMIC ACID DERIVATIVES Bayer CropScience AG (DE) 2007-07-25 EP disclosed
WO-2006056282-A1 2,6-DIETHYL-4-METHYL-PHENYL-SUBSTITUTED TETRAMIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2006-06-01 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-20100261934-A1 Method for Preparing 2,6-Diethyl-4-Methylphenylacetic Acid DDT, TET1, DDC ACACB 728/4885ACACA 1106/4885DPP4 289/4885
US-20080318776-A1 2,6-Diethyl-4-Methylphenyl-Substituted Tetramic Acid Derivatives DDT, TET1, TET3 ACACB 1389/4885ACACA 2133/4885DPP4 119/4885

“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.