SCHEMBL19704337

SCHEMBL19704337

CC(C)(C)CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCC(=O)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33
HTT P42858 1/20 0.32
CASP2 P42575 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
RAB9A P51151 1/20 0.31
PLK1 P53350 2/20 0.31
TLR2 O60603 1/20 0.31
TLR1 Q15399 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
NAAA Q02083 1/20 0.30

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
SCHEMBL19703734 1.00 TSHR (0.33) TSHRRECQLHTTCASP2L3MBTL1
SCHEMBL19698244 0.94 RECQL (0.30) TSHRRECQL
SCHEMBL19698594 0.94 RECQL (0.30) TSHRRECQL
SCHEMBL20033246 0.94 TSHR (0.31) TSHR
SCHEMBL19698251 0.94 TSHR (0.31) TSHR
SCHEMBL19703944 0.91 SIGMAR1 (0.33) RECQL
SCHEMBL19704141 0.91 SIGMAR1 (0.33) RECQL
SCHEMBL19704336 0.91 KDM4E (0.32) TSHRHTTRAB9APLK1TLR2
SCHEMBL19703735 0.91 KDM4E (0.32) TSHRHTTRAB9APLK1TLR2
SCHEMBL20034754 0.89 HTT (0.36) TSHRRECQLHTTCASP2L3MBTL1

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-9938323-B2 Amatoxin derivatives and conjugates thereof as inhibitors of RNA polymerase NOVARTIS AG (CH) 2018-04-10 US disclosed
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 TSHR 1922/4885RECQL 1218/4885HTT 2720/4885

“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.