SCHEMBL13096261

SCHEMBL13096261

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.42
ACACA Q13085 6/20 0.42
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 4/20 0.31
BACE1 P56817 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 0.91 ACACB (0.50) ACACBACACACHRM2CHRM4CHRM5
SCHEMBL13288540 0.85 ACACB (0.50) ACACBACACAGRM1BACE1
SCHEMBL13960143 0.84 ACACB (0.45) ACACBACACA
SCHEMBL13096247 0.83 ACACB (0.38) ACACBACACAGRM1
SCHEMBL13070822 0.83 ACACB (0.48) ACACBACACAGRM1BACE1
SCHEMBL14490553 0.83 ACACB (0.46) ACACBACACABACE1
SCHEMBL13105612 0.82 ACACB (0.38) ACACBACACAGRM1
SCHEMBL13960142 0.82 ACACB (0.42) ACACBACACAGRM1BACE1
SCHEMBL14129223 0.82 ACACB (0.45) ACACBACACAGRM1BACE1
SCHEMBL14372083 0.81 ACACB (0.52) ACACBACACAGRM1BACE1

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 2 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

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-20100261934-A1 Method for Preparing 2,6-Diethyl-4-Methylphenylacetic Acid DDT, TET1, DDC ACACB 728/4885ACACA 1106/4885CHRM2 122/4885

“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.