SCHEMBL5548720

SCHEMBL5548720

C[Si](C)(C)OCCOC(C#N)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
TRPA1 O75762 1/20 0.35
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SCN1A P35498 3/20 0.33
SCN2A Q99250 3/20 0.33
SCN3A Q9NY46 3/20 0.33
LMNA P02545 3/20 0.33
CYP1A2 P05177 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
ADRA2A P08913 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM1 P11229 1/20 0.33
ADRA2B P18089 1/20 0.33
CHRM3 P20309 1/20 0.33
SLC6A2 P23975 1/20 0.33
HRH2 P25021 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
SCHEMBL27836972 0.81 TSHR (0.38) TSHRTRPA1HTTSCN1ASCN2A
SCHEMBL1200406 0.81 TSHR (0.38) TSHRTRPA1HTTSCN1ASCN2A
SCHEMBL27836987 0.77 LTA4H (0.41) TSHRTRPA1HTTMEN1KMT2A
SCHEMBL3685806 0.76 TRPA1 (0.44) TSHRTRPA1HTTMEN1KMT2A
SCHEMBL3295316 0.75 TRPA1 (0.42) TSHRTRPA1HTTMEN1KMT2A
SCHEMBL1200547 0.75 TSHR (0.42) TSHRTRPA1HTTMEN1KMT2A
SCHEMBL2610138 0.75 TRPA1 (0.42) TSHRTRPA1HTTMEN1KMT2A
SCHEMBL27836981 0.75 TSHR (0.42) TSHRTRPA1HTTMEN1KMT2A
SCHEMBL1200863 0.75 TSHR (0.36) TSHRTRPA1HTTMEN1KMT2A
SCHEMBL27836910 0.75 TSHR (0.36) TSHRTRPA1HTTMEN1KMT2A

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 4 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-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 TSHR 541/4885TRPA1 1374/4885HTT 3937/4885

“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.