SCHEMBL15044770

SCHEMBL15044770

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.44
GPR84 Q9NQS5 7/20 0.43
FFAR1 O14842 2/20 0.39
FFAR4 Q5NUL3 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LCK P06239 1/20 0.38
PPARD Q03181 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
GRIK1 P39086 1/20 0.37
GRIK2 Q13002 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
SCHEMBL14906342 0.92 GPR84 (0.45) FAAHGPR84FFAR1FFAR4ALDH1A1
SCHEMBL14906293 0.81 GPR84 (0.62) FAAHGPR84FFAR1FFAR4LCK
SCHEMBL24711726 0.81 CYP2D6 (0.34) ALDH1A1
SCHEMBL26624055 0.78 GPR84 (0.51) FAAHGPR84FFAR1FFAR4LCK
SCHEMBL14906341 0.77 GPR84 (0.47) FAAHGPR84FFAR1FFAR4LCK
SCHEMBL14906343 0.77 GPR84 (0.54) FAAHGPR84FFAR1FFAR4LCK
SCHEMBL14906306 0.76 GPR84 (0.49) FAAHGPR84FFAR1FFAR4LCK
SCHEMBL14906281 0.74 FFAR1 (0.58) FAAHGPR84FFAR1FFAR4ALDH1A1
SCHEMBL15416189 0.74 FAAH (0.68) FAAHGPR84FFAR1FFAR4
SCHEMBL14906280 0.73 GPR84 (0.53) FAAHGPR84FFAR1FFAR4LCK

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 FAAH 1214/4885GPR84 225/4885FFAR1 129/4885
US-20180036333-A9 AMINO ACID-, PEPTIDE- AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF APLNR, NPPA, ARGLU1 FAAH 1214/4885GPR84 225/4885FFAR1 129/4885
US-20130158021-A1 AMINO ACID-, PEPTIDE-AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF APLNR, NPPA, ARGLU1 FAAH 1214/4885GPR84 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.