SCHEMBL12848969

SCHEMBL12848969

C=CCc1ccccc1[Si](C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
ALDH1A1 P00352 2/20 0.38
ADRA2C P18825 7/20 0.36
ADRA2B P18089 6/20 0.36
ADRA2A P08913 5/20 0.36
HTR1A P08908 4/20 0.36
KCNH2 Q12809 2/20 0.36
NISCH Q9Y2I1 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ADRB2 P07550 2/20 0.35
ADRB1 P08588 2/20 0.35
LMNA P02545 1/20 0.35
ADRB3 P13945 1/20 0.35
SLC6A2 P23975 1/20 0.35
BDKRB2 P30411 1/20 0.35
SLC6A4 P31645 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL3772407 0.84 GABRA1 (0.40) GABRA1GABRB2ALDH1A1ADRA2CADRA2B
SCHEMBL6952845 0.81 GABRA1 (0.59) GABRA1GABRB2ALDH1A1L3MBTL1LMNA
SCHEMBL4079752 0.79 GABRA1 (0.42) GABRA1GABRB2ALDH1A1ADRA2CADRA2B
SCHEMBL13185417 0.79 MGAM (0.35) ALDH1A1
SCHEMBL10389350 0.78 GABRA1 (0.41) GABRA1GABRB2ALDH1A1ADRA2CADRA2B
SCHEMBL9843604 0.77 ALDH1A1 (0.35) GABRA1GABRB2ALDH1A1ADRA2CADRA2B
SCHEMBL29763626 0.77 GABRA1 (0.56) GABRA1GABRB2ALDH1A1ADRA2CADRA2B
SCHEMBL173300 0.77 GABRA1 (0.56) GABRA1GABRB2ALDH1A1ADRA2CADRA2B
SCHEMBL21271561 0.76 MGAM (0.37)
SCHEMBL19437729 0.74 GABRA1 (0.54) GABRA1GABRB2ALDH1A1ADRA2CADRA2B

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
CN-104829841-B A kind of organosilicon macromolecule material and preparation method thereof 山东大学 2017-11-10 CN claimed
CN-104829841-B A kind of organosilicon macromolecule material and preparation method thereof 山东大学 2017-11-10 CN disclosed
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 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-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES TSLP, NFATC1, IL5 GABRA1 1550/4885GABRB2 1380/4885ALDH1A1 644/4885

“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.