SCHEMBL17811481

SCHEMBL17811481

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.39
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HSD17B14 Q9BPX1 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 3/20 0.34
KDM4E B2RXH2 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
NFKB1 P19838 1/20 0.34
HTT P42858 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL17811487 0.89 SLC6A4 (0.34) PLK1ALDH1A1HPGDNPC1RAB9A
SCHEMBL17811486 0.84 MAOA (0.40) PLK1ALDH1A1HPGDNPC1KDM4E
SCHEMBL17815471 0.81 SLC6A4 (0.38) HSD17B14NPC1KDM4ERAB9ALMNA
SCHEMBL18902801 0.79 SLC6A4 (0.31) SLC6A4
SCHEMBL17811483 0.77 MEN1 (0.41) PLK1MEN1KMT2AALDH1A1HPGD
SCHEMBL17811480 0.76 PLK1 (0.38) PLK1MEN1KMT2AALDH1A1HPGD
SCHEMBL28571430 0.76 MEN1 (0.53) PLK1MEN1KMT2AALDH1A1HPGD
SCHEMBL17815472 0.76 MAOA (0.43) PLK1HSD17B14ALDH1A1HPGDNPC1
SCHEMBL17811492 0.76 HSD17B14 (0.35) MEN1KMT2AHSD17B14HPGDHSD17B10
SCHEMBL17811472 0.74 MEN1 (0.61) MEN1KMT2AALDH1A1HPGDHSD17B10

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.