SCHEMBL15044798

SCHEMBL15044798

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 2/20 0.55
GPR84 Q9NQS5 6/20 0.42
FFAR1 O14842 3/20 0.42
PPARD Q03181 5/20 0.41
MAPT P10636 1/20 0.41
LCK P06239 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
GRIK1 P39086 1/20 0.39
GRIK2 Q13002 1/20 0.39
FFAR4 Q5NUL3 2/20 0.39
ACE2 Q9BYF1 1/20 0.39
PPARG P37231 4/20 0.38
PPARA Q07869 4/20 0.38
TSHR P16473 3/20 0.38
HDAC11 Q96DB2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
SLC22A8 Q8TCC7 1/20 0.38

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
SCHEMBL3249208 0.88 NOD1 (0.56) NOD1GPR84FFAR1PPARDFFAR4
SCHEMBL15047640 0.88 NOD1 (0.56) NOD1GPR84FFAR1PPARDFFAR4
SCHEMBL3249203 0.88 NOD1 (0.56) NOD1GPR84FFAR1PPARDFFAR4
SCHEMBL29977697 0.88 NOD1 (0.56) NOD1GPR84FFAR1PPARDFFAR4
SCHEMBL29978075 0.88 NOD1 (0.56) NOD1GPR84FFAR1PPARDFFAR4
SCHEMBL28184751 0.88 NOD1 (0.56) NOD1GPR84FFAR1PPARDFFAR4
Hydrochloric Acid SCHEMBL5034548 0.87 NOD1 (0.55) NOD1GPR84FFAR1PPARDFFAR4
SCHEMBL3802336 0.86 NOD1 (0.54) NOD1GPR84FFAR1PPARDFFAR4
SCHEMBL3802334 0.86 NOD1 (0.54) NOD1GPR84FFAR1PPARDFFAR4
SCHEMBL30992334 0.86 NOD1 (0.53) NOD1GPR84FFAR1PPARDMAPT

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 NOD1 2381/4885GPR84 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.