SCHEMBL5545676

SCHEMBL5545676

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.36
HTT P42858 2/20 0.36
CYP2D6 P10635 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
KCNH2 Q12809 3/20 0.35
CYP3A4 P08684 2/20 0.35
ALDH1A1 P00352 2/20 0.33
RECQL P46063 1/20 0.33
GSR P00390 1/20 0.33
GLS O94925 1/20 0.33
RIPK1 Q13546 1/20 0.33
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
SCN1A P35498 2/20 0.32
SCN2A Q99250 2/20 0.32
SCN3A Q9NY46 2/20 0.32
TRPA1 O75762 1/20 0.32
AOC3 Q16853 1/20 0.32
LMNA P02545 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
SCHEMBL5550392 0.85 HTT (0.36) SLC6A2HTTCYP2D6SLC6A4SLC6A3
SCHEMBL5543949 0.85 HTT (0.36) SLC6A2HTTSLC6A4SLC6A3KCNH2
SCHEMBL5549258 0.83 HTT (0.38) SLC6A2HTTSLC6A4RIPK1LMNA
SCHEMBL14365086 0.79 SLC6A2 (0.34) SLC6A2HTTCYP2D6SLC6A4SLC6A3
SCHEMBL3489157 0.75 LMNA (0.45) SLC6A2HTTCYP2D6SLC6A4SLC6A3
SCHEMBL5550370 0.75 GSR (0.50) SLC6A2HTTCYP2D6SLC6A4SLC6A3
SCHEMBL5549297 0.72 CHRNB2 (0.51) SLC6A2CYP2D6SLC6A4SLC6A3KCNH2
SCHEMBL25419166 0.71 GSR (0.40) SLC6A2HTTCYP2D6SLC6A4SLC6A3
SCHEMBL13126325 0.70 ALDH1A1 (0.39) SLC6A2HTTCYP2D6SLC6A4SLC6A3
SCHEMBL28122302 0.70 ALDH1A1 (0.39) SLC6A2HTTCYP2D6SLC6A4SLC6A3

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 SLC6A2 3057/4885HTT 3937/4885CYP2D6 1794/4885

“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.