SCHEMBL15044873

SCHEMBL15044873

CCCCCCCCCCCCN(CC)CCCCC1NC(=O)C(CCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC)NC1=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.41
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM5A P29375 3/20 0.35
GPR84 Q9NQS5 2/20 0.35
KDM4C Q9H3R0 2/20 0.35
PHF8 Q9UPP1 2/20 0.35
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
HLCS P50747 1/20 0.34

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
SCHEMBL20814091 0.97 KCNH2 (0.37) KCNH2KDM4EHSD17B10KDM5AGPR84
SCHEMBL15044732 0.95 GPR84 (0.37) KCNH2KDM4EHSD17B10KDM5AGPR84
SCHEMBL18286623 0.88 TPSAB1 (0.34)
SCHEMBL3622874 0.84 ALDH1A1 (0.44) KDM4EALDH1A1L3MBTL1MEN1MAPT
SCHEMBL10005090 0.82 ALDH1A1 (0.45) KDM4EALDH1A1L3MBTL1MEN1MAPT
SCHEMBL5442521 0.82 ALDH1A1 (0.45) KDM4EALDH1A1L3MBTL1MEN1MAPT
SCHEMBL8998181 0.82 ALDH1A1 (0.45) KDM4EALDH1A1L3MBTL1MEN1MAPT
SCHEMBL21095232 0.81 DAGLA (0.40) KDM4EKDM5AGPR84KDM4CPHF8
SCHEMBL21095195 0.81 DAGLA (0.40) KDM4EKDM5AGPR84KDM4CPHF8
SCHEMBL21095193 0.81 DAGLA (0.40) KDM4EKDM5AGPR84KDM4CPHF8

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-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-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 (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 KCNH2 3115/4885KDM4E 2762/4885HSD17B10 4474/4885
US-20180036333-A9 AMINO ACID-, PEPTIDE- AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF APLNR, NPPA, ARGLU1 KCNH2 3115/4885KDM4E 2762/4885HSD17B10 4474/4885
US-20130158021-A1 AMINO ACID-, PEPTIDE-AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF APLNR, NPPA, ARGLU1 KCNH2 3115/4885KDM4E 2762/4885HSD17B10 4474/4885

“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.