SCHEMBL15044741

SCHEMBL15044741

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.57
FFAR1 O14842 3/20 0.57
GPR84 Q9NQS5 9/20 0.50
FAAH O00519 1/20 0.44
GRIK1 P39086 1/20 0.42
GRIK2 Q13002 1/20 0.42
PPARG P37231 6/20 0.42
PPARD Q03181 6/20 0.42
PPARA Q07869 6/20 0.42
HDAC11 Q96DB2 5/20 0.42
TSHR P16473 4/20 0.42
ALDH1A1 P00352 2/20 0.42
TLR2 O60603 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
FABP4 P15090 2/20 0.42
PTPN1 P18031 2/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
MEN1 O00255 1/20 0.42
ESR1 P03372 1/20 0.42

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) FFAR4FFAR1GPR84FAAHPPARG
SCHEMBL15044742 0.87 GPR84 (0.60) FFAR4FFAR1GPR84FAAHGRIK1
SCHEMBL15044767 0.83 GPR84 (0.50) FFAR4FFAR1GPR84GRIK1GRIK2
SCHEMBL15044874 0.82 FFAR1 (0.49) FFAR4FFAR1GPR84FAAHGRIK1
SCHEMBL15044737 0.82 GPR84 (0.45) FFAR4FFAR1GPR84FAAHGRIK1
SCHEMBL15044789 0.81 GPR84 (0.47) FFAR4FFAR1GPR84PPARGPPARD
SCHEMBL15044757 0.81 GPR84 (0.41) FFAR4FFAR1GPR84FAAHGRIK1
SCHEMBL15044748 0.81 GPR84 (0.44) FFAR4FFAR1GPR84FAAHGRIK1
SCHEMBL14906293 0.79 GPR84 (0.62) FFAR4FFAR1GPR84FAAHGRIK1
SCHEMBL26624055 0.78 GPR84 (0.51) FFAR4FFAR1GPR84FAAHGRIK1

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