SCHEMBL17811487

SCHEMBL17811487

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

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.34
MAOA P21397 1/20 0.34
RAB9A P51151 2/20 0.34
GAA P10253 1/20 0.34
NPC1 O15118 1/20 0.33
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
PLK1 P53350 1/20 0.33
CYP1A2 P05177 1/20 0.32
GRK6 P43250 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
HAO1 Q9UJM8 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
SCHEMBL17815471 0.94 SLC6A4 (0.38) SLC6A4MAOARAB9AGAANPC1
SCHEMBL17811481 0.89 PLK1 (0.39) SLC6A4RAB9AGAANPC1ALDH1A1
SCHEMBL18902801 0.89 SLC6A4 (0.31) SLC6A4MAOA
SCHEMBL17811486 0.86 MAOA (0.40) SLC6A4MAOARAB9ANPC1TAS1R3
SCHEMBL17811484 0.82 SLC6A4 (0.36) SLC6A4MAOARAB9AGAANPC1
SCHEMBL17815472 0.79 MAOA (0.43) MAOARAB9ANPC1ALDH1A1HPGD
SCHEMBL17815538 0.74 SLC6A4 (0.40) SLC6A4MAOARAB9AGAANPC1
SCHEMBL13940796 0.73 SLC6A4 (0.48) SLC6A4MAOAALDH1A1
SCHEMBL17815438 0.71 NR1H2 (0.37) GAACYP1A2
SCHEMBL20306694 0.69 ALDH1A1 (0.43) RAB9AGAANPC1ALDH1A1HPGD

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.