SCHEMBL19703723

SCHEMBL19703723

CCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCN1C(=O)C=CC1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.56
PTGS1 P23219 7/20 0.38
PTGS2 P35354 7/20 0.38
FAAH O00519 1/20 0.38
POLB P06746 2/20 0.36
THRB P10828 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
BLM P54132 1/20 0.36
WRN Q14191 1/20 0.36
HIF1A Q16665 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
TP53 P04637 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GSK3A P49840 1/20 0.36

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
SCHEMBL17740049 1.00 MGLL (0.56) MGLLPTGS1PTGS2FAAHPOLB
SCHEMBL20272155 0.93 MGLL (0.45) MGLLPTGS1PTGS2FAAHPOLB
SCHEMBL19703936 0.92 MGLL (0.45) MGLLPTGS1PTGS2FAAHPOLB
SCHEMBL17740133 0.91 MGLL (0.51) MGLLPTGS1PTGS2FAAHHPGD
SCHEMBL17740042 0.91 MGLL (0.51) MGLLPTGS1PTGS2FAAHHPGD
SCHEMBL13300934 0.90 MGLL (0.42) MGLLPTGS1PTGS2FAAHPOLB
SCHEMBL17740196 0.90 MGLL (0.50) MGLLPTGS1PTGS2FAAHHPGD
SCHEMBL24916800 0.89 MGLL (0.47) MGLLPTGS1PTGS2FAAHHPGD
SCHEMBL12181821 0.89 MGLL (0.47) MGLLPTGS1PTGS2FAAHHPGD
SCHEMBL21648869 0.87 MGLL (0.45) MGLLPTGS1PTGS2FAAHHPGD

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 3919/4885PTGS1 3718/4885PTGS2 4181/4885

“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.