SCHEMBL3186207

SCHEMBL3186207

CCCCCCCCCCCCCCC[C@@H](O)[C@@H](NC=O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.51
ADH1C P00326 1/20 0.51
ADH1A P07327 1/20 0.51
ADH4 P08319 1/20 0.51
ADH7 P40394 1/20 0.51
GPR84 Q9NQS5 7/20 0.50
FFAR1 O14842 2/20 0.50
MAPT P10636 1/20 0.49
LCK P06239 1/20 0.44
PPARD Q03181 1/20 0.44
ZDHHC20 Q5W0Z9 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44
FFAR4 Q5NUL3 1/20 0.42
ACE2 Q9BYF1 1/20 0.42
FAAH O00519 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SPHK1 Q9NYA1 1/20 0.42

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
SCHEMBL7153248 0.78 GPR84 (0.52) GPR84FFAR1MAPTLCKPPARD
SCHEMBL8005773 0.78 GPR84 (0.52) GPR84FFAR1MAPTLCKPPARD
SCHEMBL3179420 0.78 GPR84 (0.52) GPR84FFAR1MAPTLCKPPARD
SCHEMBL7156258 0.78 GPR84 (0.52) GPR84FFAR1MAPTLCKPPARD
SCHEMBL28318789 0.77 ADH1B (0.56) ADH1BADH1CADH1AADH4ADH7
SCHEMBL20366018 0.77 ADH1B (0.56) ADH1BADH1CADH1AADH4ADH7
SCHEMBL9014767 0.77 ADH1B (0.55) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11681362 0.76 GPR84 (0.48) GPR84FFAR1MAPTLCKPPARD
SCHEMBL9731775 0.75 MEN1 (0.63) GPR84FFAR1FFAR4FAAHMEN1
SCHEMBL3188855 0.75 MEN1 (0.63) GPR84FFAR1FFAR4FAAHMEN1

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 ADH1B 557/4885ADH1C 573/4885ADH1A 445/4885

“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.