SCHEMBL17811484

SCHEMBL17811484

C=C(c1ccc(SC)cc1)c1cccc(C(=C)c2ccc(SCC)cc2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.36
MAOA P21397 1/20 0.36
RAB9A P51151 3/20 0.35
GAA P10253 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
NPC1 O15118 2/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
PLK1 P53350 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
SIRT2 Q8IXJ6 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
SCHEMBL17815538 0.94 SLC6A4 (0.40) SLC6A4MAOARAB9AGAANPC1
SCHEMBL17811483 0.88 MEN1 (0.41) SLC6A4RAB9AGAAAKR1C3AKR1C2
SCHEMBL17811489 0.85 MAOA (0.41) MAOARAB9ANPC1KMT2APLK1
SCHEMBL17811487 0.82 SLC6A4 (0.34) SLC6A4MAOARAB9AGAANPC1
SCHEMBL2283730 0.81 C1S (0.41) MEN1KMT2APLK1ALDH1A1SMN1; SMN2
SCHEMBL17811485 0.80 AKR1C3 (0.37) SLC6A4MAOARAB9AGAAAKR1C3
SCHEMBL17811535 0.78 MAOA (0.45) MAOARAB9ANPC1KMT2APLK1
SCHEMBL28571430 0.77 MEN1 (0.53) AKR1C3AKR1C2AKR1C1MEN1KMT2A
SCHEMBL13940796 0.75 SLC6A4 (0.48) SLC6A4MAOAALDH1A1
SCHEMBL17815471 0.74 SLC6A4 (0.38) SLC6A4MAOARAB9AGAANPC1

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-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

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 SLC6A4 4512/4885MAOA 1229/4885RAB9A 4875/4885
US-20160159956-A1 Polymerisation Initiators ELOVL5, ELOVL3, ELOVL1 SLC6A4 4512/4885MAOA 1229/4885RAB9A 4875/4885

“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.