SCHEMBL17811480

SCHEMBL17811480

C/C=C(/c1ccc(SC)cc1)c1cccc(/C(=C/C)c2ccc(SC)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.38
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
LMNA P02545 4/20 0.36
MAPT P10636 4/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
NFKB1 P19838 2/20 0.36
HTT P42858 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.36
PKM P14618 1/20 0.36
AKR1C3 P42330 3/20 0.35
AKR1C2 P52895 3/20 0.35
AKR1C1 Q04828 3/20 0.35
ALDH1A1 P00352 5/20 0.34
GAA P10253 1/20 0.34
CASP3 P42574 1/20 0.34

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
SCHEMBL18902943 0.92 PLK1 (0.33) PLK1MEN1KMT2ALMNAMAPT
SCHEMBL17811481 0.76 PLK1 (0.39) PLK1MEN1KMT2ALMNAMAPT
SCHEMBL17811485 0.69 AKR1C3 (0.37) PLK1MEN1KMT2ALMNAMAPT
SCHEMBL17811487 0.68 SLC6A4 (0.34) PLK1RAB9ANPC1ALDH1A1GAA
SCHEMBL83839 0.63 ALDH1A1 (0.58) PLK1MEN1KMT2AALDH1A1CYP1A2
SCHEMBL17288863 0.62 PLK1 (0.52) PLK1MEN1KMT2ALMNAMAPT
SCHEMBL28717240 0.61 PTGS2 (0.46) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL5859663 0.61 PLK1 (0.61) PLK1MEN1KMT2ALMNAMAPT
SCHEMBL6182687 0.61 PLK1 (0.61) PLK1MEN1KMT2ALMNAMAPT
SCHEMBL17811483 0.60 MEN1 (0.41) PLK1MEN1KMT2ALMNAMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10005869-B2 Polymerisation initiators TRINSEO EUROPE GMBH (CH) 2018-06-26 US disclosed
US-10005869-B2 Polymerisation initiators TRINSEO EUROPE GMBH (CH) 2018-06-26 US disclosed
US-20160159956-A1 Polymerisation Initiators TRINSEO EUROPE GMBH (CH) 2016-06-09 US disclosed
US-20160159956-A1 Polymerisation Initiators TRINSEO EUROPE GMBH (CH) 2016-06-09 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 (2 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-10005869-B2 Polymerisation initiators ELOVL5, ELOVL3, ELOVL1 PLK1 1549/4885MEN1 3319/4885KMT2A 2066/4885
US-20160159956-A1 Polymerisation Initiators ELOVL5, ELOVL3, ELOVL1 PLK1 1549/4885MEN1 3319/4885KMT2A 2066/4885

“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.