SCHEMBL17811538

SCHEMBL17811538

CCCCCC(c1ccc(SCCCC)cc1)c1cccc(C(CCCCC)c2ccc(SCCCC)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
SIGMAR1 Q99720 1/20 0.41
SLC2A1 P11166 1/20 0.36
HTR2A P28223 4/20 0.36
AR P10275 2/20 0.36
CYSLTR2 Q9NS75 3/20 0.36
CYSLTR1 Q9Y271 3/20 0.36
HRH1 P35367 3/20 0.36
PLK1 P53350 1/20 0.36
XDH P47989 1/20 0.35
CYP19A1 P11511 1/20 0.35

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
SCHEMBL18902833 0.83 MAOA (0.36) MAOAMAOBSIGMAR1ARPLK1
SCHEMBL19754081 0.76 SIGMAR1 (0.42) SIGMAR1HTR2AHRH1CYP19A1
SCHEMBL17929118 0.76 HTR2A (0.45) SIGMAR1HTR2AHRH1CYP19A1
SCHEMBL17811537 0.76 SIGMAR1 (0.46) SIGMAR1HTR2AHRH1CYP19A1
SCHEMBL12869906 0.75 MAOA (0.47) MAOAMAOBSLC2A1PLK1
SCHEMBL81907 0.75 SIGMAR1 (0.64) SIGMAR1HTR2AHRH1CYP19A1
SCHEMBL17811539 0.75 SIGMAR1 (0.49) SIGMAR1HTR2AHRH1
SCHEMBL4740370 0.73 SIGMAR1 (0.62) SIGMAR1HTR2AHRH1CYP19A1
SCHEMBL8100113 0.73 SIGMAR1 (0.62) SIGMAR1HTR2AHRH1CYP19A1
SCHEMBL10578613 0.73 SIGMAR1 (0.62) SIGMAR1HTR2AHRH1CYP19A1

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 3 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
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 2182/4885SIGMAR1 2592/4885
US-20160159956-A1 Polymerisation Initiators ELOVL5, ELOVL3, ELOVL1 MAOA 1229/4885MAOB 2182/4885SIGMAR1 2592/4885

“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.