SCHEMBL13073183

SCHEMBL13073183

CC(N)C(=O)OCCCCCCN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 3/20 0.40
CPB2 Q96IY4 2/20 0.40
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
GSR P00390 1/20 0.38
HTR2C P28335 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
PLG P00747 1/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
SLC6A2 P23975 1/20 0.37
RECQL P46063 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KMT2A Q03164 1/20 0.37
NAAA Q02083 1/20 0.36
CYP1A2 P05177 1/20 0.36
TLR2 O60603 1/20 0.35
CYP3A4 P08684 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
SCHEMBL16645017 0.91 CYP1A2 (0.39) PAOXCPB2GSRALDH1A1LMNA
SCHEMBL28268034 0.91 NAAA (0.41) HTR2CALDH1A1NAAACYP3A4TSHR
SCHEMBL28439905 0.91 NAAA (0.41) HTR2CALDH1A1NAAACYP3A4TSHR
SCHEMBL15623821 0.91 NAAA (0.41) HTR2CALDH1A1NAAACYP3A4TSHR
SCHEMBL15802651 0.91 NAAA (0.41) HTR2CALDH1A1NAAACYP3A4TSHR
Hydrochloric Acid SCHEMBL28168281 0.89 NAAA (0.40) HTR2CALDH1A1NAAACYP3A4TSHR
SCHEMBL12165304 0.85 PAOX (0.41) PAOXCPB2ITGB3ITGA2BHTR2C
SCHEMBL3880771 0.83 NAAA (0.55) HTR2CALDH1A1LMNANAAATSHR
SCHEMBL4679055 0.83 NAAA (0.55) HTR2CALDH1A1LMNANAAATSHR
SCHEMBL13797804 0.83 NAAA (0.55) HTR2CALDH1A1LMNANAAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100292439-A1 Use of Functionalized Onium Salts for Peptide Synthesis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE` (FR) 2010-11-18 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 (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-20100292439-A1 Use of Functionalized Onium Salts for Peptide Synthesis NPY1R, CNKSR1, NPBWR1 PAOX 3051/4885CPB2 2397/4885ITGB3 2952/4885

“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.