SCHEMBL15044880

SCHEMBL15044880

CCCCCCCCCCC(O)CN(CC(O)CCCCCCCCCC)C(CC1=CCc2ccccc21)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.34
CSNK1E P49674 1/20 0.34
FFAR1 O14842 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
PPARG P37231 4/20 0.33
ALDH1A1 P00352 2/20 0.32
ASAH1 Q13510 1/20 0.32
ACER2 Q5QJU3 1/20 0.32
GRIK1 P39086 1/20 0.32
GRIK2 Q13002 1/20 0.32
PPARA Q07869 2/20 0.31

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
SCHEMBL15044894 0.86 NPC1 (0.36)
SCHEMBL14906282 0.80 CSNK1E (0.50) GPR84CSNK1EFFAR1FFAR4PPARG
SCHEMBL14906484 0.73 TRPV1 (0.50) GPR84CSNK1EFFAR1FFAR4ALDH1A1
SCHEMBL15044769 0.73 GPR84 (0.40) GPR84CSNK1EFFAR1FFAR4PPARG
SCHEMBL26624055 0.71 GPR84 (0.51) GPR84FFAR1FFAR4GRIK1GRIK2
SCHEMBL14906335 0.71 SMN1; SMN2 (0.52) ALDH1A1
SCHEMBL14906343 0.70 GPR84 (0.54) GPR84FFAR1FFAR4GRIK1GRIK2
SCHEMBL14906306 0.69 GPR84 (0.49) GPR84FFAR1FFAR4GRIK1GRIK2
SCHEMBL14906293 0.69 GPR84 (0.62) GPR84FFAR1FFAR4GRIK1GRIK2
SCHEMBL14906281 0.68 FFAR1 (0.58) GPR84FFAR1FFAR4PPARGALDH1A1

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 3 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

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 225/4885CSNK1E 2281/4885FFAR1 129/4885
US-20180036333-A9 AMINO ACID-, PEPTIDE- AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF APLNR, NPPA, ARGLU1 GPR84 225/4885CSNK1E 2281/4885FFAR1 129/4885
US-20130158021-A1 AMINO ACID-, PEPTIDE-AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF APLNR, NPPA, ARGLU1 GPR84 225/4885CSNK1E 2281/4885FFAR1 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.