SCHEMBL15044874

SCHEMBL15044874

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.49
FFAR4 Q5NUL3 1/20 0.49
GPR84 Q9NQS5 8/20 0.46
FAAH O00519 2/20 0.43
NOD1 Q9Y239 2/20 0.43
GRIK1 P39086 1/20 0.42
GRIK2 Q13002 1/20 0.42
NFKB1 P19838 1/20 0.41
MAPT P10636 1/20 0.40
LCK P06239 1/20 0.40
PPARD Q03181 1/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40

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
SCHEMBL14906281 0.90 FFAR1 (0.58) FFAR1FFAR4GPR84FAAHNOD1
SCHEMBL14906339 0.87 FFAR1 (0.47) FFAR1FFAR4GPR84FAAHNOD1
SCHEMBL26624055 0.84 GPR84 (0.51) FFAR1FFAR4GPR84FAAHGRIK1
SCHEMBL14906343 0.83 GPR84 (0.54) FFAR1FFAR4GPR84FAAHGRIK1
SCHEMBL15044741 0.82 FFAR4 (0.57) FFAR1FFAR4GPR84FAAHGRIK1
SCHEMBL29978498 0.82 GPR84 (0.46) FFAR1FFAR4GPR84FAAHNOD1
SCHEMBL29978283 0.82 GPR84 (0.46) FFAR1FFAR4GPR84FAAHNOD1
SCHEMBL14906306 0.82 GPR84 (0.49) FFAR1FFAR4GPR84FAAHGRIK1
SCHEMBL14906293 0.82 GPR84 (0.62) FFAR1FFAR4GPR84FAAHGRIK1
SCHEMBL15044798 0.81 NOD1 (0.55) FFAR1FFAR4GPR84NOD1GRIK1

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-20130158021-A1 AMINO ACID-, PEPTIDE-AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-06-20 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 FFAR1 129/4885FFAR4 155/4885GPR84 225/4885
US-20180036333-A9 AMINO ACID-, PEPTIDE- AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF APLNR, NPPA, ARGLU1 FFAR1 129/4885FFAR4 155/4885GPR84 225/4885
US-20130158021-A1 AMINO ACID-, PEPTIDE-AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF APLNR, NPPA, ARGLU1 FFAR1 129/4885FFAR4 155/4885GPR84 225/4885

“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.