SCHEMBL4512544

SCHEMBL4512544

CC(N)CCC[Si](O)(O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.46
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
TP53 P04637 1/20 0.41
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
GABRA4 P48169 2/20 0.37
GABRE P78334 2/20 0.37
GABRA6 Q16445 2/20 0.37
GABRG1 Q8N1C3 2/20 0.37
GABRG3 Q99928 2/20 0.37
GABRQ Q9UN88 2/20 0.37

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
SCHEMBL4525282 0.90 OPRM1 (0.48) OPRM1ALDH1A1TDP1TP53GABRP
SCHEMBL4530850 0.90 OPRM1 (0.48) OPRM1ALDH1A1TDP1TP53GABRP
SCHEMBL4528214 0.83
SCHEMBL4531321 0.77 OPRM1 (0.50) OPRM1ALDH1A1TDP1TP53GABRP
SCHEMBL4526000 0.77 OPRM1 (0.39) OPRM1ALDH1A1TDP1TP53GABRP
SCHEMBL2062083 0.76 OPRM1 (0.48) OPRM1ALDH1A1TDP1TP53GABRP
SCHEMBL317886 0.73
SCHEMBL1012485 0.73 OPRM1 (0.75) OPRM1ALDH1A1TDP1TP53GABRP
SCHEMBL14654820 0.73
SCHEMBL22838164 0.72 OPRM1 (0.57) OPRM1ALDH1A1TDP1TP53GABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273726-B2 Compositions for treating and/or preventing diseases characterized by the presence of metal ions BRANDEIS UNIVERSITY (US) 2012-09-25 US disclosed
US-20100184724-A1 COMPOSITIONS FOR TREATING AND/OR PREVENTING DISEASES CHARACTERIZED BY THE PRESENCE OF METAL IONS GRENPHARMA LLC (US) 2010-07-22 US disclosed
US-7595308-B2 Treatment and/or prevention of Alzheimer's disease, other neurodegenerative diseases, and/or diseases characterized by the presence of certain metal ions, by using organosilicon compounds such as dichlorodiethylsilane GRENPHARMA LLC (US) 2009-09-29 US disclosed
US-20090203644-A1 Compositions for treating and/or preventing diseases characterized by the presence of metal ions GRENPHARMA LLC (US) 2009-08-13 US disclosed
US-7507480-B2 Corrosion-resistant metal surfaces BROOKHAVEN SCIENCE ASSOCIATES, LLC (US) 2009-03-24 US disclosed
US-20060269760-A1 Corrosion-resistant metal surfaces ENERGY, UNITED STATES DEPARTMENT OF 2006-11-30 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 (2 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-20100184724-A1 COMPOSITIONS FOR TREATING AND/OR PREVENTING DISEASES CHARACTERIZED BY THE PRESENCE OF METAL IONS FABP2, SLC3A2, SLC40A1 OPRM1 2260/4885ALDH1A1 1931/4885TDP1 4794/4885
US-20090203644-A1 Compositions for treating and/or preventing diseases characterized by the presence of metal ions APP, PSEN1, IAPP OPRM1 4807/4885ALDH1A1 4682/4885TDP1 1013/4885

“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.