SCHEMBL15044893

SCHEMBL15044893

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 2/20 0.39
SOAT1 P35610 2/20 0.37
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
KMT2A Q03164 1/20 0.37
EPHX1 P07099 1/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 2/20 0.34
GPR84 Q9NQS5 4/20 0.33
GGPS1 O95749 3/20 0.33
DNM1 Q05193 2/20 0.33
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33

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
SCHEMBL30865522 0.88 NOD1 (0.42) NOD1SOAT1MEN1FAAHTP53
SCHEMBL15044797 0.86 NOD1 (0.47) NOD1SOAT1MEN1FAAHTP53
SCHEMBL27812695 0.86 NOD1 (0.47) NOD1SOAT1MEN1FAAHTP53
SCHEMBL15044788 0.84 GPR84 (0.46) NOD1MEN1KMT2AGPR84
SCHEMBL15044803 0.80 NOD1 (0.38) NOD1EPHX1LMNAGPR84GGPS1
SCHEMBL20813964 0.80 NOD1 (0.42) NOD1SOAT1MEN1FAAHTP53
SCHEMBL15044794 0.79 NOD1 (0.37) NOD1KMT2AGPR84GGPS1DNM1
SCHEMBL16440011 0.78 NOD1 (0.41) NOD1MEN1KMT2ALMNAGPR84
SCHEMBL15867481 0.77 FDPS (0.32)
SCHEMBL10140939 0.77 FDPS (0.32)

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 2381/4885SOAT1 1652/4885MEN1 604/4885

“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.