SCHEMBL3179660

SCHEMBL3179660

CCCCCCCCCCCCCCCC(=O)C(NC=O)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.43
FAAH O00519 3/20 0.42
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
ADH4 P08319 1/20 0.41
ADH7 P40394 1/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
DGKA P23743 1/20 0.40
TSHR P16473 1/20 0.38

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
SCHEMBL3180229 0.79 KMT2A (0.46) CES2FAAHMEN1MAPK1KMT2A
SCHEMBL3190699 0.79 KMT2A (0.59) CES2FAAHMEN1MAPK1KMT2A
SCHEMBL837941 0.79 MGAM (0.42) ADH1BADH1CADH1A
SCHEMBL4623923 0.74 MGAM (0.38) MEN1KMT2A
SCHEMBL6067582 0.73 CES2 (0.52) CES2FAAHMEN1MAPK1KMT2A
SCHEMBL10857678 0.72 LMNA (0.43) CES2FAAHMEN1MAPK1KMT2A
SCHEMBL6560551 0.72 CES2 (0.50) CES2FAAHDGKA
SCHEMBL653965 0.71 KMT2A (0.56) FAAHMEN1MAPK1KMT2A
SCHEMBL11367762 0.71 CES2 (0.50) CES2FAAHDGKA
SCHEMBL11372771 0.71 CES2 (0.50) CES2FAAHDGKATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207370-B2 Process for producing optically active beta-hydroxy-alpha-aminocarboxylic acid ester KANEKA CORPORATION (JP) 2012-06-26 US disclosed
US-20100022795-A1 Process for producing optically active beta-hydroxy-alpha-aminocarboxylic acid ester KANEKA CORPORATION (JP) 2010-01-28 US disclosed
EP-2067769-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE BETA-HYDROXY-ALPHA-AMINOCARBOXYLIC ACID ESTER Kaneka Corporation (JP) 2009-06-10 EP 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-20100022795-A1 Process for producing optically active beta-hydroxy-alpha-aminocarboxylic acid ester AADAT, ALAD, ALDH7A1 CES2 2212/4885FAAH 811/4885ADH1B 557/4885

“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.