SCHEMBL17815539

SCHEMBL17815539

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.39
MAOA P21397 1/20 0.39
RAB9A P51151 2/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PTGS2 P35354 1/20 0.33
GSK3B P49841 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
EPHX2 P34913 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32

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
SCHEMBL17811485 0.94 AKR1C3 (0.37) SLC6A4MAOARAB9AGAANPC1
SCHEMBL17815473 0.84 MAOA (0.44) MAOARAB9ANPC1
SCHEMBL17811490 0.79 MAOA (0.40) MAOARAB9ANPC1TAS1R3TAS1R1
SCHEMBL18902973 0.78 MAOA (0.40) MAOARAB9ANPC1
SCHEMBL17815538 0.77 SLC6A4 (0.40) SLC6A4MAOARAB9AGAANPC1
SCHEMBL17815439 0.74 NR1H2 (0.37) PDE4APDE4BPDE4CPDE4DRXRA
SCHEMBL20306696 0.72 ALDH1A1 (0.46) RAB9AGAANPC1HDAC6
SCHEMBL20306677 0.72 PTGS2 (0.37) PDE4APDE4BPDE4CPDE4DPTGS2
SCHEMBL17811484 0.72 SLC6A4 (0.36) SLC6A4MAOARAB9AGAANPC1
SCHEMBL22068408 0.71 RAB9A (0.41) 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.