SCHEMBL13096259

SCHEMBL13096259

CCc1cc(C)cc(CC)c1C1=C(OP(C)(=S)OCC(F)(F)F)C2(CCC(OC)CC2)NC1=O

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
BACE1 P56817 1/20 0.32

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
SCHEMBL14372092 0.93 ACACB (0.35) ACACBACACABACE1
SCHEMBL13288549 0.84 KMT2A (0.31)
SCHEMBL13071277 0.84
SCHEMBL14490562 0.83
SCHEMBL12564499 0.79 ACACB (0.50) ACACBACACABACE1
SCHEMBL13096247 0.78 ACACB (0.38) ACACBACACA
SCHEMBL13105612 0.77 ACACB (0.38) ACACBACACA
SCHEMBL13096256 0.77 ACACB (0.36) ACACBACACA
SCHEMBL13096261 0.76 ACACB (0.42) ACACBACACABACE1
SCHEMBL13096266 0.75 ACACB (0.37) 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 7 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-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
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
US-20080318776-A1 2,6-Diethyl-4-Methylphenyl-Substituted Tetramic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2008-12-25 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 (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 1106/4885BACE1 4489/4885
US-20080318776-A1 2,6-Diethyl-4-Methylphenyl-Substituted Tetramic Acid Derivatives DDT, TET1, TET3 ACACB 1389/4885ACACA 2133/4885BACE1 4236/4885

“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.