SCHEMBL19703764

SCHEMBL19703764

CCCNC(=O)CCCCCO/N=C(/C)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.44
CNR1 P21554 7/20 0.43
CNR2 P34972 6/20 0.43
DNM1 Q05193 2/20 0.42
GAA P10253 1/20 0.41
CASP2 P42575 1/20 0.40
ENPP2 Q13822 1/20 0.39
LPAR1 Q92633 1/20 0.39
LPAR2 Q9HBW0 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL19698263 0.87 TSHR (0.38) FAAHCNR1CNR2DNM1GAA
SCHEMBL19698259 0.87 TSHR (0.38) FAAHCNR1CNR2DNM1GAA
SCHEMBL17740102 0.86 FAAH (0.47) FAAHCNR1CNR2DNM1GAA
SCHEMBL19698297 0.85 TSHR (0.39) FAAHCNR1CNR2GAATSHR
SCHEMBL19698299 0.85 TSHR (0.39) FAAHCNR1CNR2GAATSHR
SCHEMBL19698320 0.85 TSHR (0.40) FAAHCNR1CNR2DNM1GAA
SCHEMBL19698318 0.85 TSHR (0.40) FAAHCNR1CNR2DNM1GAA
SCHEMBL19703619 0.84 FAAH (0.45) FAAHCNR1CNR2DNM1CASP2
SCHEMBL19698324 0.83 TSHR (0.41) FAAHCNR1CNR2DNM1CASP2
SCHEMBL19698315 0.83 TSHR (0.41) FAAHCNR1CNR2DNM1CASP2

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 FAAH 3895/4885CNR1 4623/4885CNR2 4749/4885

“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.