SCHEMBL15047718

SCHEMBL15047718

CCCCCCCCCCCCC(CCCCCCCCCCCC)CCCCC(C(=O)O)N(CCCCCCCCCCCC)CCCCCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 2/20 0.50
GPR84 Q9NQS5 7/20 0.47
FFAR1 O14842 2/20 0.47
MAPT P10636 1/20 0.46
LCK P06239 1/20 0.46
PPARD Q03181 1/20 0.46
ZDHHC20 Q5W0Z9 1/20 0.46
ZDHHC2 Q9UIJ5 1/20 0.46
GRIK1 P39086 2/20 0.44
GRIK2 Q13002 2/20 0.44
ACE2 Q9BYF1 1/20 0.43
LMNA P02545 1/20 0.42
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40

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
SCHEMBL30992334 0.95 NOD1 (0.53) NOD1GPR84FFAR1MAPTLCK
SCHEMBL30992333 0.95 NOD1 (0.53) NOD1GPR84FFAR1MAPTLCK
SCHEMBL15044855 0.93 NOD1 (0.48) NOD1GPR84FFAR1MAPTLCK
SCHEMBL1537990 0.93 NOD1 (0.51) NOD1GPR84FFAR1MAPTLCK
SCHEMBL1537988 0.93 NOD1 (0.51) NOD1GPR84FFAR1MAPTLCK
SCHEMBL29587787 0.91 NOD1 (0.53) NOD1GPR84FFAR1MAPTLCK
SCHEMBL10939743 0.91 GPR84 (0.52) NOD1GPR84FFAR1MAPTLCK
SCHEMBL15044724 0.90 NOD1 (0.50) NOD1GPR84FFAR1MAPTLCK
SCHEMBL29588540 0.87 NOD1 (0.53) NOD1GPR84FFAR1MAPTLCK
SCHEMBL341674 0.87 NOD1 (0.51) NOD1GPR84FFAR1MAPTLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2381/4885GPR84 225/4885FFAR1 129/4885

“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.