SCHEMBL12477459

SCHEMBL12477459

C[Si](C)(C)C#Cc1ccc(N([Si](C)(C)C)[Si](C)(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32
APP P05067 1/20 0.30

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
SCHEMBL6851297 0.83 GABRA1 (0.33) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1306384 0.82 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL18526935 0.81 ALDH1A1 (0.48) APP
SCHEMBL1306505 0.79 APP (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL711868 0.79 ALDH1A1 (0.46) APP
SCHEMBL4107898 0.79 APP (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL12477568 0.77 GABRA1 (0.33) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL14882956 0.76 ALDH1A1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1098721 0.76 ALDH1A1 (0.45)
SCHEMBL672198 0.76 APP (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2658861-B1 NEW (TRIORGANOSILYL)ALKYNES AND THEIR DERIVATIVES AND A NEW CATALYTIC METHOD FOR OBTAINING NEW AND CONVENTIONAL SUBSTITUTED (TRIORGANOSILYL)ALKYNES AND THEIR DERIVATIVES UNIV ADAM MICKIEWICZ (PL) 2016-10-12 EP disclosed
US-9108994-B2 (Triorganosilyl)alkynes and their derivatives and a new catalytic method for obtaining new and conventional substituted (triorganosilyl)alkynes and their derivatives ADAM MICKIEWICZ UNIVERSITY (PL) 2015-08-18 US disclosed
US-20140005427-A1 NEW (TRIORGANOSILYL)ALKYNES AND THEIR DERIVATIVES AND A NEW CATALYTIC METHOD FOR OBTAINING NEW AND CONVENTIONAL SUBSTITUTED (TRIORGANOSILYL)ALKYNES AND THEIR DERIVATIVES ADAM MICKIEWICZ UNIVERSITY (PL) 2014-01-02 US disclosed
EP-2658861-A2 NEW (TRIORGANOSILYL)ALKYNES AND THEIR DERIVATIVES AND A NEW CATALYTIC METHOD FOR OBTAINING NEW AND CONVENTIONAL SUBSTITUTED (TRIORGANOSILYL)ALKYNES AND THEIR DERIVATIVES Adam Mickiewicz University (PL) 2013-11-06 EP disclosed
WO-2012091588-A2 NEW (TRIORGANOSILYL)ALKYNES AND THEIR DERIVATIVES AND A NEW CATALYTIC METHOD FOR OBTAINING NEW AND CONVENTIONAL SUBSTITUTED (TRIORGANOSILYL)ALKYNES AND THEIR DERIVATIVES ADAM MICKIEWICZ UNIVERSITY (PL) 2012-07-05 WO 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-20140005427-A1 NEW (TRIORGANOSILYL)ALKYNES AND THEIR DERIVATIVES AND A NEW CATALYTIC METHOD FOR OBTAINING NEW AND CONVENTIONAL SUBSTITUTED (TRIORGANOSILYL)ALKYNES AND THEIR DERIVATIVES TPI1, ALK, INO80C GABRA1 3163/4885GABRG2 4204/4885GABRB3 3825/4885

“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.