SCHEMBL5550392

SCHEMBL5550392

CC(C)(C)[Si](C)(C)CC(OCCI)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.36
SCN1A P35498 3/20 0.32
SCN2A Q99250 3/20 0.32
SCN3A Q9NY46 3/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
LMNA P02545 2/20 0.32
CYP1A2 P05177 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
ADRA2A P08913 1/20 0.32
CYP2D6 P10635 1/20 0.32
CHRM1 P11229 1/20 0.32
TSHR P16473 1/20 0.32
ADRA2B P18089 1/20 0.32
CHRM3 P20309 1/20 0.32
SLC6A2 P23975 1/20 0.32
HRH2 P25021 1/20 0.32
HTR2A P28223 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
SCHEMBL5543949 0.85 HTT (0.36) HTTSLC6A4SLC6A3SLC6A2HRH1
SCHEMBL5545676 0.85 SLC6A2 (0.36) HTTSCN1ASCN2ASCN3ASLC6A4
SCHEMBL5549258 0.83 HTT (0.38) HTTSLC6A4LMNASLC6A2RIPK1
SCHEMBL14365083 0.79 HTT (0.31) HTTSCN1ASCN2ASCN3ASLC6A4
SCHEMBL5543927 0.70 LMNA (0.31) HTTSCN1ASCN2ASCN3ASLC6A4
SCHEMBL21280529 0.69 CA2 (0.37) HTTSLC6A4SLC6A3LMNACYP1A2
SCHEMBL5500512 0.68 CA2 (0.41) SLC6A4HTR2AHRH1RIPK1
SCHEMBL5543932 0.67 SYK (0.46) LMNASMN1; SMN2
SCHEMBL14365086 0.65 SLC6A2 (0.34) HTTSLC6A4SLC6A3CYP2D6SLC6A2
SCHEMBL14365050 0.65 CHRNB2 (0.32) SLC6A4CYP2D6TSHRSLC6A2CHRNB2

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-7301018-B2 Probe for mass spectrometry of liquid sample JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2007-11-27 US disclosed
US-20040142378-A1 Probe for mass spectrometry of liquid sample JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2004-07-22 US disclosed
US-20040031122-A1 Wiping device VALEO WISCHERSYSTEME GMBH (DE) 2004-02-19 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 (1 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-20040142378-A1 Probe for mass spectrometry of liquid sample MRPS22, MRPS27, MRPS23 HTT 3937/4885SCN1A 3357/4885SCN2A 1817/4885

“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.