SCHEMBL15044748

SCHEMBL15044748

CCCCCCCCCCC(O)CN(CC(O)CCCCCCCCCC)C(CC(C)C)C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 8/20 0.44
FFAR1 O14842 2/20 0.42
FFAR4 Q5NUL3 1/20 0.42
GRIK1 P39086 2/20 0.40
GRIK2 Q13002 2/20 0.40
FAAH O00519 3/20 0.38
NFKB1 P19838 1/20 0.38
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
ACE2 Q9BYF1 1/20 0.36

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
SCHEMBL14906341 0.88 GPR84 (0.47) GPR84FFAR1FFAR4GRIK1GRIK2
SCHEMBL15044767 0.84 GPR84 (0.50) GPR84FFAR1FFAR4GRIK1GRIK2
SCHEMBL15044737 0.83 GPR84 (0.45) GPR84FFAR1FFAR4GRIK1GRIK2
SCHEMBL15044742 0.82 GPR84 (0.60) GPR84FFAR1FFAR4GRIK1GRIK2
SCHEMBL15044738 0.81 GPR84 (0.49) GPR84FFAR1FFAR4FAAHNFKB1
SCHEMBL15044741 0.81 FFAR4 (0.57) GPR84FFAR1FFAR4GRIK1GRIK2
SCHEMBL15044757 0.79 GPR84 (0.41) GPR84FFAR1FFAR4GRIK1GRIK2
SCHEMBL15044801 0.79 EPHX1 (0.39) GRIK1GRIK2FAAH
SCHEMBL15044761 0.78 GPR84 (0.46) GPR84FFAR1FFAR4FAAHNFKB1
SCHEMBL15044777 0.78 GPR84 (0.46) GPR84FFAR1FFAR4FAAHNFKB1

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 GPR84 225/4885FFAR1 129/4885FFAR4 155/4885
US-20180036333-A9 AMINO ACID-, PEPTIDE- AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF APLNR, NPPA, ARGLU1 GPR84 225/4885FFAR1 129/4885FFAR4 155/4885
US-20130158021-A1 AMINO ACID-, PEPTIDE-AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF APLNR, NPPA, ARGLU1 GPR84 225/4885FFAR1 129/4885FFAR4 155/4885

“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.