SCHEMBL17740102

SCHEMBL17740102

CCCNC(=O)CCCCCON=C(C)C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.47
DNM1 Q05193 2/20 0.45
CASP2 P42575 1/20 0.43
CNR1 P21554 3/20 0.43
CNR2 P34972 2/20 0.43
TSHR P16473 1/20 0.42
LPAR1 Q92633 2/20 0.42
LPAR2 Q9HBW0 2/20 0.42
ENPP2 Q13822 1/20 0.42
NAAA Q02083 1/20 0.41
EPHX2 P34913 2/20 0.40
GAA P10253 1/20 0.40
SELP P16109 1/20 0.40

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
SCHEMBL19703619 0.98 FAAH (0.45) FAAHDNM1CASP2CNR1CNR2
SCHEMBL19703621 0.95 FAAH (0.45) FAAHDNM1CASP2CNR1CNR2
SCHEMBL19703928 0.91 CASP2 (0.57) FAAHDNM1CASP2CNR1CNR2
SCHEMBL19703929 0.89 CASP2 (0.54) FAAHDNM1CASP2CNR1CNR2
SCHEMBL19704169 0.88 CASP2 (0.39) FAAHDNM1CASP2CNR1TSHR
SCHEMBL19703764 0.86 FAAH (0.44) FAAHDNM1CASP2CNR1CNR2
SCHEMBL19703622 0.86 FAAH (0.46) FAAHDNM1CASP2CNR1CNR2
SCHEMBL19703927 0.86 CASP2 (0.54) FAAHDNM1CASP2CNR1TSHR
SCHEMBL19703617 0.84 FAAH (0.44) FAAHDNM1CASP2CNR1CNR2
SCHEMBL19704170 0.81 FAAH (0.44) FAAHDNM1CASP2CNR1CNR2

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-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
WO-2016071856-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE NOVARTIS AG (CH) 2016-05-12 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-20170355731-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE RNGTT, RNASE1, RNMT FAAH 3895/4885DNM1 1936/4885CASP2 2689/4885

“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.