SCHEMBL15044797

SCHEMBL15044797

CCCCCCCCCCCCN(CCCCCCCCCCCC)C(CC(N)=O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 2/20 0.47
LMNA P02545 1/20 0.40
GRIK1 P39086 2/20 0.40
GRIK2 Q13002 2/20 0.40
GPR84 Q9NQS5 8/20 0.39
FFAR1 O14842 1/20 0.39
MAPT P10636 1/20 0.38
LCK P06239 1/20 0.38
PPARD Q03181 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
MEN1 O00255 1/20 0.37
FAAH O00519 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
SOAT1 P35610 1/20 0.37

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
SCHEMBL27812695 1.00 NOD1 (0.47) NOD1LMNAGRIK1GRIK2GPR84
SCHEMBL20813964 0.93 NOD1 (0.42) NOD1LMNAGRIK1GRIK2GPR84
SCHEMBL16440011 0.91 NOD1 (0.41) NOD1LMNAGRIK1GRIK2GPR84
Carbamic Acid SCHEMBL2289549 0.88 NOD1 (0.46) NOD1GRIK1GRIK2GPR84FFAR1
SCHEMBL30865522 0.88 NOD1 (0.42) NOD1LMNAGRIK1GRIK2GPR84
SCHEMBL11845370 0.87 NOD1 (0.42) NOD1LMNAGRIK1GRIK2GPR84
SCHEMBL11839233 0.86 NOD1 (0.41) NOD1LMNAGRIK1GRIK2GPR84
SCHEMBL11838959 0.86 NOD1 (0.41) NOD1LMNAGRIK1GRIK2GPR84
SCHEMBL15044893 0.86 NOD1 (0.39) NOD1LMNAGRIK1GRIK2GPR84
SCHEMBL9442148 0.86 GPR84 (0.47) NOD1GPR84FFAR1PPARDMEN1

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-9512073-B2 Amino acid-, peptide-and polypeptide-lipids, isomers, compositions, and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-12-06 US disclosed
US-20130158021-A1 AMINO ACID-, PEPTIDE-AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-06-20 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-20130158021-A1 AMINO ACID-, PEPTIDE-AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF APLNR, NPPA, ARGLU1 NOD1 2381/4885LMNA 1632/4885GRIK1 2689/4885

“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.