SCHEMBL15047716

SCHEMBL15047716

CCCCCCCCCCC(O)CNC(CCCCC)C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 8/20 0.49
FFAR1 O14842 2/20 0.44
FFAR4 Q5NUL3 1/20 0.44
ZDHHC7 Q9NXF8 1/20 0.42
NOD1 Q9Y239 3/20 0.41
ACE P12821 1/20 0.40
FAAH O00519 2/20 0.40
KMT2A Q03164 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
SCHEMBL14906279 0.84 TDP1 (0.45) KMT2A
Water SCHEMBL7533665 0.84 ZDHHC7 (0.45) GPR84FFAR1ZDHHC7NOD1ACE
SCHEMBL27554867 0.83 ZDHHC7 (0.47) GPR84FFAR1ZDHHC7NOD1ACE
SCHEMBL27574677 0.83 ZDHHC7 (0.47) GPR84FFAR1ZDHHC7NOD1ACE
SCHEMBL7739253 0.83 ZDHHC7 (0.47) GPR84FFAR1ZDHHC7NOD1ACE
SCHEMBL27512521 0.83 ZDHHC7 (0.47) GPR84FFAR1ZDHHC7NOD1ACE
SCHEMBL27534343 0.83 ZDHHC7 (0.47) GPR84FFAR1ZDHHC7NOD1ACE
SCHEMBL11332462 0.82 ZDHHC7 (0.46) ZDHHC7NOD1ACEFAAHKMT2A
SCHEMBL5328117 0.81 GPR84 (0.45) GPR84FFAR1FFAR4ZDHHC7NOD1
SCHEMBL11087551 0.79 KMT2A (0.49) GPR84FFAR1FFAR4NOD1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GPR84 225/4885FFAR1 129/4885FFAR4 155/4885

“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.