SCHEMBL19703735

SCHEMBL19703735

CC(C)(C)CCCCNC(=O)CCOCCOCCOCCOCCC(=O)Oc1c(F)c(F)cc(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
PLK1 P53350 4/20 0.32
RAB9A P51151 1/20 0.31
CNR1 P21554 4/20 0.31
CNR2 P34972 4/20 0.31
TSHR P16473 1/20 0.31
TLR2 O60603 1/20 0.31
TLR1 Q15399 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL19704336 1.00 KDM4E (0.32) KDM4EALDH1A1MAPTHTTPLK1
SCHEMBL19698242 0.94 PLK1 (0.32) PLK1
SCHEMBL19698253 0.94 PLK1 (0.32) PLK1
SCHEMBL19704143 0.92 KDM4E (0.34) KDM4EALDH1A1MAPTHTTPLK1
SCHEMBL19703739 0.92 KDM4E (0.34) KDM4EALDH1A1MAPTHTTPLK1
SCHEMBL19704337 0.91 TSHR (0.33) ALDH1A1MAPTHTTPLK1RAB9A
SCHEMBL19703734 0.91 TSHR (0.33) ALDH1A1MAPTHTTPLK1RAB9A
SCHEMBL20033312 0.90 ALDH1A1 (0.35) KDM4EALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL19703943 0.89 PLK1 (0.31) KDM4EALDH1A1MAPTHTTPLK1
SCHEMBL19698235 0.89 L3MBTL1 (0.38) KDM4EALDH1A1MAPTHTTCNR1

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 KDM4E 4100/4885ALDH1A1 3212/4885MAPT 3191/4885

“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.