SCHEMBL14906337

SCHEMBL14906337

CCCCCCCCCCC(O)CN1CCCC1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.44
FFAR1 O14842 2/20 0.43
FFAR4 Q5NUL3 1/20 0.43
BCHE P06276 1/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
REN P00797 1/20 0.39
ACE P12821 1/20 0.39

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
SCHEMBL11122285 1.00 GPR84 (0.44) GPR84FFAR1FFAR4BCHEALDH1A1
SCHEMBL11119799 1.00 GPR84 (0.44) GPR84FFAR1FFAR4BCHEALDH1A1
SCHEMBL11122286 1.00 GPR84 (0.44) GPR84FFAR1FFAR4BCHEALDH1A1
SCHEMBL26121293 0.87 ACE (0.40) BCHEL3MBTL1RENACE
SCHEMBL26121297 0.87 ACE (0.40) BCHEL3MBTL1RENACE
SCHEMBL8674297 0.79 S1PR1 (0.51) BCHEL3MBTL1
SCHEMBL20442187 0.79 S1PR1 (0.51) BCHEL3MBTL1
SCHEMBL9150667 0.79 S1PR1 (0.51) BCHEL3MBTL1
SCHEMBL7263459 0.79 S1PR1 (0.51) BCHEL3MBTL1
SCHEMBL9150671 0.79 S1PR1 (0.51) BCHEL3MBTL1

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-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
WO-2013063468-A1 AMINO ACID DERIVATES FUNCTIONALIZED ON THE N- TERMINAL CAPABLE OF FORMING DRUG INCAPSULATING MICROSPHERES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-05-02 WO 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 (2 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 225/4885FFAR1 129/4885FFAR4 155/4885
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.