SCHEMBL18978552

SCHEMBL18978552

CCC(C)C(C(=O)O)N(CCl)CCl

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
MME P08473 2/20 0.35
ACE P12821 2/20 0.35
CPA1 P15085 2/20 0.35
ACE2 Q9BYF1 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.32
PGR P06401 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
HTR2A P28223 1/20 0.32
HRH1 P35367 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL23174418 0.83 HTR2A (0.41) ALDH1A1MMEACECPA1ACE2
SCHEMBL23174419 0.83 HTR2A (0.41) ALDH1A1MMEACECPA1ACE2
SCHEMBL23205719 0.83 HTR2A (0.41) ALDH1A1MMEACECPA1ACE2
SCHEMBL23174420 0.83 HTR2A (0.41) ALDH1A1MMEACECPA1ACE2
SCHEMBL2985696 0.79 FDPS (0.36) ALDH1A1MMEACECPA1ACE2
SCHEMBL2985694 0.79 FDPS (0.36) ALDH1A1MMEACECPA1ACE2
SCHEMBL3381142 0.78 ALDH1A1 (0.38) ALDH1A1MMEACECPA1ACE2
SCHEMBL3381140 0.78 ALDH1A1 (0.38) ALDH1A1MMEACECPA1ACE2
SCHEMBL3377644 0.78 ALDH1A1 (0.38) ALDH1A1MMEACECPA1ACE2
SCHEMBL3377640 0.78 ALDH1A1 (0.38) ALDH1A1MMEACECPA1ACE2

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 3 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-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 (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-20230124955-A1 AMINO ACID-, PEPTIDE- AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF APLNR, NPPA, ARGLU1 ALDH1A1 4716/4885MME 342/4885ACE 1849/4885
US-20170165290-A1 AMINO ACID-, PEPTIDE- AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF APLNR, NPPA, ARGLU1 ALDH1A1 4716/4885MME 342/4885ACE 1849/4885
US-20180036333-A9 AMINO ACID-, PEPTIDE- AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF APLNR, NPPA, ARGLU1 ALDH1A1 4716/4885MME 342/4885ACE 1849/4885

“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.