SCHEMBL13205140

SCHEMBL13205140

CC/C=C/COC(=O)CC(CN(C)C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.36
GRIK2 Q13002 2/20 0.36
PTGS1 P23219 1/20 0.33

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
SCHEMBL13205143 0.78 PTGS1 (0.34) GRIK1GRIK2PTGS1
SCHEMBL17075355 0.73 PRKCA (0.37) PTGS1
SCHEMBL17075354 0.73 PRKCA (0.37) PTGS1
SCHEMBL17756140 0.69 MEN1 (0.40)
SCHEMBL28214954 0.68 FOLH1 (0.48)
SCHEMBL8961878 0.68 PTGS1 (0.40) PTGS1
SCHEMBL20912984 0.68 SLC1A3 (0.37) GRIK1GRIK2PTGS1
SCHEMBL5368563 0.68 TDP1 (0.43) GRIK1GRIK2
SCHEMBL5933141 0.66
SCHEMBL5892318 0.66 MAPK1 (0.48) GRIK1GRIK2

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-7781391-B2 Amine/amide-functionalized lipophiles CRODA, INC. (US) 2010-08-24 US disclosed
US-20070238896-A1 Amine/amide-functionalized lipophiles CRODA, INC. (US) 2007-10-11 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-20070238896-A1 Amine/amide-functionalized lipophiles TYR, LPO, CUTA GRIK1 3977/4885GRIK2 4204/4885PTGS1 4202/4885

“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.