SCHEMBL17811540

SCHEMBL17811540

CCCCCC(c1ccc(N(C)C)cc1)c1cccc(C(CCCCC)c2ccc(N([Si](C)(C)C)[Si](C)(C)C)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.39
HTR2A P28223 4/20 0.38
HRH1 P35367 3/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP19A1 P11511 3/20 0.34
GAA P10253 2/20 0.34
INSR P06213 1/20 0.34
KDM4E B2RXH2 3/20 0.34
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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
SCHEMBL17811537 0.91 SIGMAR1 (0.46) SIGMAR1HTR2AHRH1GPBAR1MEN1
SCHEMBL3897372 0.80 SIGMAR1 (0.44) SIGMAR1HTR2AHRH1GPBAR1MEN1
SCHEMBL17811539 0.78 SIGMAR1 (0.49) SIGMAR1HTR2AHRH1TDP1MAPK1
SCHEMBL8179264 0.77 GAA (0.46) SIGMAR1HTR2AHRH1MEN1KMT2A
SCHEMBL27702362 0.71 SIGMAR1 (0.53) SIGMAR1HTR2AHRH1MEN1KMT2A
SCHEMBL17929118 0.71 HTR2A (0.45) SIGMAR1HTR2AHRH1CYP19A1KDM4E
SCHEMBL19754081 0.71 SIGMAR1 (0.42) SIGMAR1HTR2AHRH1CYP19A1CYP2C9
SCHEMBL10405490 0.70 ALDH1A1 (0.48) HTR2AHRH1GPBAR1MEN1KMT2A
SCHEMBL81907 0.70 SIGMAR1 (0.64) SIGMAR1HTR2AHRH1MEN1KMT2A
SCHEMBL17811538 0.69 MAOA (0.47) 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 SIGMAR1 2592/4885HTR2A 3689/4885HRH1 4048/4885
US-20160159956-A1 Polymerisation Initiators ELOVL5, ELOVL3, ELOVL1 SIGMAR1 2592/4885HTR2A 3689/4885HRH1 4048/4885

“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.