SCHEMBL13205143

SCHEMBL13205143

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

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.34
GRIK1 P39086 2/20 0.32
GRIK2 Q13002 2/20 0.32
NR1I2 O75469 1/20 0.31
PGR P06401 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
PTGS2 P35354 1/20 0.31
PDE4D Q08499 1/20 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
SCHEMBL13205142 0.79 MGAM (0.43)
SCHEMBL13205140 0.78 GRIK1 (0.36) PTGS1GRIK1GRIK2
SCHEMBL13205139 0.76 HCAR2 (0.36)
SCHEMBL17075354 0.75 PRKCA (0.37) PTGS1NR1I2PGRADORA3PTGS2
SCHEMBL17075355 0.75 PRKCA (0.37) PTGS1NR1I2PGRADORA3PTGS2
SCHEMBL8961878 0.70 PTGS1 (0.40) PTGS1NR1I2PGRADORA3PTGS2
SCHEMBL24829887 0.69 ALDH1A1 (0.44) PTGS1GRIK1GRIK2NR1I2ADORA3
SCHEMBL5933141 0.68
SCHEMBL11723677 0.68 ALDH1A1 (0.47) PTGS1NR1I2PGRADORA3PTGS2
SCHEMBL11723671 0.68 ALDH1A1 (0.47) PTGS1NR1I2PGRADORA3PTGS2

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 PTGS1 4202/4885GRIK1 3977/4885GRIK2 4204/4885

“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.