SCHEMBL15044804

SCHEMBL15044804

CCCCCCCCCCCCN(CCCCCCCCCCCC)C(C(C)=O)C(C)O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.39
GPR84 Q9NQS5 5/20 0.37
FFAR1 O14842 1/20 0.37
MAPT P10636 1/20 0.36
DNM1 Q05193 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL15044805 0.87 DNM1 (0.37) FAAHGPR84DNM1MEN1MAPK1
SCHEMBL14906361 0.85 GPR84 (0.46) GPR84FFAR1MAPT
SCHEMBL15044866 0.84 GGPS1 (0.38) FAAHDNM1MEN1MAPK1KMT2A
SCHEMBL15044761 0.80 GPR84 (0.46) FAAHGPR84FFAR1
SCHEMBL22585036 0.79 GPR84 (0.43) FAAHGPR84FFAR1MAPT
SCHEMBL15044790 0.79 GGPS1 (0.42) FAAHGPR84DNM1MEN1MAPK1
SCHEMBL19882090 0.77 GGPS1 (0.41) FAAHDNM1MEN1MAPK1KMT2A
SCHEMBL8071713 0.74 DNM1 (0.42) DNM1
SCHEMBL8968533 0.74 DNM1 (0.42) DNM1
SCHEMBL6138244 0.74 GPR84 (0.42) GPR84FFAR1MAPTDNM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-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.