SCHEMBL15044740

SCHEMBL15044740

CCCCCCCCCCCCNC(=O)CCNCCC(=O)NCCCCCCCCCCCC

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.77
NAAA Q02083 1/20 0.71
EPHX1 P07099 5/20 0.65
FAAH O00519 5/20 0.61
DNM1 Q05193 2/20 0.58
EPHX2 P34913 2/20 0.56

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
SCHEMBL12791889 0.98 CASP2 (0.74) CASP2NAAAEPHX1FAAHDNM1
SCHEMBL12791721 0.98 CASP2 (0.74) CASP2NAAAEPHX1FAAHDNM1
SCHEMBL12791694 0.98 CASP2 (0.74) CASP2NAAAEPHX1FAAHDNM1
SCHEMBL12792037 0.98 CASP2 (0.74) CASP2NAAAEPHX1FAAHDNM1
SCHEMBL12791762 0.98 CASP2 (0.74) CASP2NAAAEPHX1FAAHDNM1
SCHEMBL24412632 0.98 CASP2 (0.74) CASP2NAAAEPHX1FAAHDNM1
SCHEMBL12791855 0.98 CASP2 (0.74) CASP2NAAAEPHX1FAAHDNM1
SCHEMBL12791965 0.98 CASP2 (0.74) CASP2NAAAEPHX1FAAHDNM1
SCHEMBL12792186 0.98 CASP2 (0.74) CASP2NAAAEPHX1FAAHDNM1
SCHEMBL12791703 0.98 CASP2 (0.74) CASP2NAAAEPHX1FAAHDNM1

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 CASP2 4455/4885NAAA 169/4885EPHX1 2716/4885

“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.