SCHEMBL19703587

SCHEMBL19703587

CC1CN(C(=O)CCOCCOCCOCCOCCN2C(=O)C=CC2=O)C1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.54
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.36
PTGS1 P23219 4/20 0.35
PTGS2 P35354 4/20 0.35
ALDH1A1 P00352 4/20 0.34
HPGD P15428 4/20 0.34
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
WRN Q14191 1/20 0.33
HIF1A Q16665 1/20 0.33
FAAH O00519 1/20 0.33

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
SCHEMBL17740198 0.90 MGLL (0.49) MGLLPOLBALDH1A1HPGDHSD17B10
SCHEMBL17739988 0.90 MGLL (0.49) MGLLPOLBALDH1A1HPGDHSD17B10
SCHEMBL19698198 0.90 MGLL (0.49) MGLLPOLBALDH1A1HPGDHSD17B10
SCHEMBL19703600 0.87 MGLL (0.51) MGLLALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL19703726 0.87 MGLL (0.51) MGLLALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL19698158 0.86 MGLL (0.50) MGLLTP53PTGS1PTGS2ALDH1A1
SCHEMBL19703574 0.84 TP53 (0.49) MGLLTP53POLBPTGS1PTGS2
SCHEMBL17739917 0.82 MGLL (0.59) MGLLPTGS1PTGS2ALDH1A1HPGD
SCHEMBL19703576 0.81 TTR (0.36) MGLL
SCHEMBL19703566 0.81 PTGS1 (0.46) MGLLTP53POLBPTGS1PTGS2

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-20170355731-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC., DBA GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2017-12-14 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-20170355731-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE RNGTT, RNASE1, RNMT MGLL 3919/4885TP53 485/4885POLB 23/4885

“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.