SCHEMBL16853365

SCHEMBL16853365

NCCN(CCOCCN(CCN)CC(=O)O)CC(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.69
PMP22 Q01453 2/20 0.69
HSD17B10 Q99714 1/20 0.69
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
CHRM2 P08172 1/20 0.50
ADRA2A P08913 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
DRD1 P21728 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
CYP2C19 P33261 1/20 0.50
ADRA1A P35348 1/20 0.50
DRD3 P35462 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
EYA2 O00167 1/20 0.46
APP P05067 1/20 0.46

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
SCHEMBL15508717 0.92 BLM (0.69) BLMPMP22HSD17B10TDP1KDM4E
SCHEMBL29428428 0.91 BLM (0.58) BLMPMP22HSD17B10TDP1KDM4E
SCHEMBL2321130 0.90 BLM (0.57) BLMPMP22HSD17B10TDP1KDM4E
Hydrochloric Acid SCHEMBL15516229 0.90 BLM (0.67) BLMPMP22HSD17B10TDP1KDM4E
Hydrochloric Acid SCHEMBL29413329 0.89 BLM (0.55) BLMPMP22HSD17B10TDP1KDM4E
SCHEMBL2770982 0.88 BLM (0.76) BLMPMP22HSD17B10TDP1KDM4E
SCHEMBL15508755 0.87 BLM (0.91) BLMPMP22HSD17B10TDP1KDM4E
SCHEMBL676801 0.87 BLM (0.65) BLMPMP22HSD17B10TDP1KDM4E
SCHEMBL3831965 0.86 BLM (0.80) BLMPMP22HSD17B10TDP1KDM4E
Ethylenediamine SCHEMBL6094719 0.84 TDP1 (0.65) BLMPMP22HSD17B10TDP1KDM4E

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 BLM 999/4885PMP22 1531/4885HSD17B10 3708/4885

“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.