SCHEMBL19704299

SCHEMBL19704299

CCCNC(=O)NCCCCC(=O)ON1C(=O)C=CC1=O

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.46
EPHX2 P34913 7/20 0.44
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
PRMT1 Q99873 1/20 0.37
NAMPT P43490 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
SCHEMBL19698087 0.85 LMNA (0.39) EPHX1EPHX2ALDH1A1LMNAPRMT1
SCHEMBL209163 0.82 DGKA (0.44) ALDH1A1LMNA
SCHEMBL2223792 0.81 DGKA (0.47) LMNA
SCHEMBL4812972 0.81 DGKA (0.47) LMNA
SCHEMBL18960980 0.81 DGKA (0.47) LMNA
SCHEMBL19067107 0.81 DGKA (0.47) LMNA
SCHEMBL28168374 0.80 ALDH1A1 (0.42) ALDH1A1LMNA
SCHEMBL13356960 0.78 PTGS1 (0.44) ALDH1A1LMNA
SCHEMBL714989 0.77 ALDH1A1 (0.44) ALDH1A1LMNA
SCHEMBL28390950 0.77 ALDH1A1 (0.38) ALDH1A1LMNA

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 EPHX1 4394/4885EPHX2 3369/4885ALDH1A1 3212/4885

“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.