SCHEMBL4586339

SCHEMBL4586339

CC(C)[Si](C#Cc1cccc2c3ccccc3c3ccccc3c12)(C(C)C)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 1/20 0.36
CACNB2 Q08289 1/20 0.36
CACNA1C Q13936 1/20 0.36
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALK Q9UM73 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
SCHEMBL12405326 0.87 CACNA2D1 (0.35) CACNA2D1CACNB2CACNA1CALK
SCHEMBL29977301 0.82 GRM5 (0.45) CACNA2D1CACNB2CACNA1CALDH1A1CYP1A2
SCHEMBL20044985 0.80 CACNA2D1 (0.37) CACNA2D1CACNB2CACNA1CALK
SCHEMBL20044978 0.79 HSD17B10 (0.38) CACNA2D1CACNB2CACNA1CALDH1A1CYP1A2
SCHEMBL10022715 0.79 CACNA2D1 (0.39) CACNA2D1CACNB2CACNA1C
SCHEMBL715009 0.79 CACNA2D1 (0.39) CACNA2D1CACNB2CACNA1C
SCHEMBL4462408 0.75 CACNA2D1 (0.41) CACNA2D1CACNB2CACNA1CALDH1A1HPGD
SCHEMBL29537640 0.75 CACNA2D1 (0.41) CACNA2D1CACNB2CACNA1CALDH1A1HPGD
SCHEMBL10034266 0.75 CACNA2D1 (0.33) CACNA2D1CACNB2CACNA1CCYP1A2
SCHEMBL22208088 0.75 ALK (0.31) CACNA2D1CACNB2CACNA1CALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080265750-A1 Triphenylene Compounds, Method of Manufacturing the Same and Organic Electroluminescent Devices Employing the Same NATIONAL UNIVERSITY CORPORATION GUNMA UNIVERSITY (JP) 2008-10-30 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-20080265750-A1 Triphenylene Compounds, Method of Manufacturing the Same and Organic Electroluminescent Devices Employing the Same SMARCC2, SMARCC1, TERT CACNA2D1 1023/4885CACNB2 1466/4885CACNA1C 696/4885

“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.