SCHEMBL17815472

SCHEMBL17815472

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
MAPT P10636 2/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
PLK1 P53350 4/20 0.38
XDH P47989 1/20 0.38
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TLR8 Q9NR97 1/20 0.34
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
SLC2A1 P11166 1/20 0.33
AR P10275 1/20 0.33
CYP3A4 P08684 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
HPGD P15428 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL17811486 0.95 MAOA (0.40) MAOAMAOBMAPTTHRATHRB
SCHEMBL17815471 0.84 SLC6A4 (0.38) MAOAMAPTNPC1RAB9AKDM4E
SCHEMBL17811535 0.82 MAOA (0.45) MAOAMAOBMAPTTHRATHRB
SCHEMBL17811487 0.79 SLC6A4 (0.34) MAOAPLK1NPC1RAB9AALDH1A1
SCHEMBL18902814 0.79 MAOA (0.40) MAOAMAOBMAPTTHRATHRB
SCHEMBL17811489 0.77 MAOA (0.41) MAOAMAOBMAPTTHRATHRB
SCHEMBL17811481 0.76 PLK1 (0.39) MAPTPLK1NPC1RAB9AALDH1A1
SCHEMBL5887468 0.73 MAOA (0.62) MAOAMAOBMAPTTHRATHRB
SCHEMBL17815438 0.71 NR1H2 (0.37) MAPTKDM4ECYP1A2HSD17B14
SCHEMBL18902801 0.71 SLC6A4 (0.31) MAOA

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 MAOA 1229/4885MAOB 2182/4885MAPT 2465/4885
US-20160159956-A1 Polymerisation Initiators ELOVL5, ELOVL3, ELOVL1 MAOA 1229/4885MAOB 2182/4885MAPT 2465/4885

“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.