SCHEMBL16853370

SCHEMBL16853370

NCC(=O)CCCCCCCC(=O)CN

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.55
LMNA P02545 5/20 0.46
KMT2A Q03164 3/20 0.46
THRB P10828 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PLG P00747 1/20 0.46
ALOX15 P16050 1/20 0.46
SLC6A2 P23975 1/20 0.46
RECQL P46063 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KDM4E B2RXH2 1/20 0.44
PAOX Q6QHF9 1/20 0.43
HTR2C P28335 1/20 0.43
NFKB1 P19838 2/20 0.42
TSHR P16473 2/20 0.42
PMP22 Q01453 1/20 0.42
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.40
BLM P54132 2/20 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
SCHEMBL16853123 1.00 GABRR1 (0.55) GABRR1LMNAKMT2ATHRBMEN1
SCHEMBL16853138 1.00 GABRR1 (0.55) GABRR1LMNAKMT2ATHRBMEN1
SCHEMBL16853135 0.97 GABRR1 (0.58) GABRR1LMNAKMT2ATHRBMEN1
SCHEMBL3309093 0.91 GABRR1 (0.48) GABRR1LMNAKMT2ATHRBMEN1
SCHEMBL5873470 0.91 LMNA (0.59) GABRR1LMNAKMT2ATHRBMEN1
SCHEMBL7446933 0.91 LMNA (0.59) GABRR1LMNAKMT2ATHRBMEN1
SCHEMBL5873474 0.91 LMNA (0.59) GABRR1LMNAKMT2ATHRBMEN1
SCHEMBL5965326 0.91 GABRR1 (0.48) GABRR1LMNAKMT2ATHRBMEN1
SCHEMBL7446931 0.91 GABRR1 (0.48) GABRR1LMNAKMT2ATHRBMEN1
SCHEMBL7453042 0.91 GABRR1 (0.48) GABRR1LMNAKMT2ATHRBMEN1

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-20160317623-A1 MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF THE SCRIPPS RESEARCH INSTITUTE 2016-11-03 US disclosed
WO-2015095406-A1 MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2015-06-25 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 (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-20160317623-A1 MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF SGMS1, SGMS2, PHOSPHO1 GABRR1 3997/4885LMNA 2709/4885KMT2A 3238/4885

“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.