SCHEMBL18978616

SCHEMBL18978616

CCC(C)C1NCC(C)OC1=O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 8/20 0.39
CACNA1G O43497 1/20 0.34
SOAT1 P35610 5/20 0.34
SOAT2 O75908 4/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL18978694 0.82 SMN1; SMN2 (0.33) GHSRCA1CA9
SCHEMBL18978622 0.70 LMNA (0.32) GHSRSOAT1SOAT2CYP3A4CYP2C9
SCHEMBL14275152 0.70 KDM4E (0.35) GHSRCACNA1GSOAT1SOAT2KDM4E
SCHEMBL13930055 0.69 KMT2A (0.36) KDM4EALDH1A1CA1CA9
SCHEMBL664811 0.69 KMT2A (0.36) KDM4EALDH1A1CA1CA9
SCHEMBL18978496 0.69
SCHEMBL18978511 0.66 SMN1; SMN2 (0.32)
SCHEMBL14587066 0.65 CACNA1G (0.44) CACNA1GSOAT1SOAT2ALDH1A1CYP3A4
SCHEMBL15292014 0.64 KDM4E (0.30) KDM4E
SCHEMBL7754367 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230124955-A1 AMINO ACID-, PEPTIDE- AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-04-20 US disclosed
US-20200330501-A1 AMINO ACID-, PEPTIDE- AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-10-22 US disclosed
US-10682374-B2 Amino acid-, peptide- and polypeptide-lipids, isomers, compositions, and uses thereof MASSACHUSETTS INTSTITUTE OF TECHNOLOGY (US) 2020-06-16 US disclosed
US-20190076462-A1 AMINO ACID-, PEPTIDE- AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2019-03-14 US disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20200330501-A1 AMINO ACID-, PEPTIDE- AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF APLNR, NPPA, ARGLU1 GHSR 135/4885CACNA1G 4843/4885SOAT1 1652/4885
US-20230124955-A1 AMINO ACID-, PEPTIDE- AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF APLNR, NPPA, ARGLU1 GHSR 135/4885CACNA1G 4843/4885SOAT1 1652/4885
US-20170165290-A1 AMINO ACID-, PEPTIDE- AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF APLNR, NPPA, ARGLU1 GHSR 135/4885CACNA1G 4843/4885SOAT1 1652/4885
US-20190076462-A1 AMINO ACID-, PEPTIDE- AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF APLNR, NPPA, ARGLU1 GHSR 135/4885CACNA1G 4843/4885SOAT1 1652/4885
US-20180036333-A9 AMINO ACID-, PEPTIDE- AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF APLNR, NPPA, ARGLU1 GHSR 135/4885CACNA1G 4843/4885SOAT1 1652/4885
US-10682374-B2 Amino acid-, peptide- and polypeptide-lipids, isomers, compositions, and uses thereof APLNR, NPPA, ARGLU1 GHSR 135/4885CACNA1G 4843/4885SOAT1 1652/4885

“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.