SCHEMBL15044801

SCHEMBL15044801

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.39
MMP8 P22894 1/20 0.37
NOD1 Q9Y239 2/20 0.36
PLA2G2A P14555 2/20 0.36
PLA2G5 P39877 2/20 0.36
PLA2G10 O15496 2/20 0.36
FAAH O00519 2/20 0.35
DNM1 Q05193 2/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
GGPS1 O95749 3/20 0.34
GRIK1 P39086 1/20 0.34
GRIK2 Q13002 1/20 0.34

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
SCHEMBL29588600 0.86 NOD1 (0.45) EPHX1MMP8NOD1PLA2G2APLA2G5
SCHEMBL14906355 0.86 NOD1 (0.45) EPHX1MMP8NOD1PLA2G2APLA2G5
SCHEMBL15044803 0.81 NOD1 (0.38) EPHX1NOD1DNM1LMNAMAPK1
SCHEMBL15044794 0.80 NOD1 (0.37) NOD1DNM1KMT2AGGPS1
SCHEMBL20813983 0.79 PLA2G2A (0.41) EPHX1MMP8NOD1PLA2G2APLA2G5
SCHEMBL15044748 0.79 GPR84 (0.44) FAAHGRIK1GRIK2
SCHEMBL15044788 0.79 GPR84 (0.46) NOD1MEN1KMT2A
SCHEMBL15044893 0.77 NOD1 (0.39) EPHX1NOD1FAAHDNM1LMNA
SCHEMBL15044790 0.77 GGPS1 (0.42) FAAHDNM1LMNAMEN1MAPK1
SCHEMBL25051792 0.77 KISS1R (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180036333-A9 AMINO ACID-, PEPTIDE- AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-02-08 US disclosed
US-20170165290-A1 AMINO ACID-, PEPTIDE- AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-06-15 US disclosed
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 (3 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-20170165290-A1 AMINO ACID-, PEPTIDE- AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF APLNR, NPPA, ARGLU1 EPHX1 2716/4885MMP8 2913/4885NOD1 2381/4885
US-20180036333-A9 AMINO ACID-, PEPTIDE- AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF APLNR, NPPA, ARGLU1 EPHX1 2716/4885MMP8 2913/4885NOD1 2381/4885
US-20130158021-A1 AMINO ACID-, PEPTIDE-AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF APLNR, NPPA, ARGLU1 EPHX1 2716/4885MMP8 2913/4885NOD1 2381/4885

“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.