SCHEMBL8207425

SCHEMBL8207425

CN(C)CCC[Si](C)(C)CCCN(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
TSHR P16473 1/20 0.50
DNM1 Q05193 3/20 0.41
TDP1 Q9NUW8 3/20 0.35
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
MAPT P10636 1/20 0.33
CYP1A2 P05177 2/20 0.31
HRH4 Q9H3N8 2/20 0.31
CYP2D6 P10635 1/20 0.31
HRH2 P25021 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL12677791 0.94 ALDH1A1 (0.45) ALDH1A1TSHRDNM1TDP1CA12
SCHEMBL12621130 0.89 ALDH1A1 (0.41) ALDH1A1TSHRDNM1TDP1CYP1A2
SCHEMBL3891202 0.84 TDP1 (0.41) ALDH1A1TSHRDNM1TDP1CYP1A2
SCHEMBL8928256 0.81 ALDH1A1 (0.50) ALDH1A1TSHRDNM1TDP1CA12
SCHEMBL12677793 0.80 ALDH1A1 (0.39) ALDH1A1TSHRDNM1TDP1CA12
Hydrochloric Acid SCHEMBL28914158 0.79 ALDH1A1 (0.47) ALDH1A1TSHRDNM1TDP1CA12
SCHEMBL2503595 0.78 ALDH1A1 (0.36) ALDH1A1TSHRDNM1
SCHEMBL3777474 0.77 ALDH1A1 (0.45) ALDH1A1TSHRDNM1TDP1CA12
SCHEMBL21741888 0.77 ALDH1A1 (0.45) ALDH1A1TSHRDNM1TDP1CA12
SCHEMBL19861866 0.77 ALDH1A1 (0.45) ALDH1A1TSHRDNM1TDP1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10287683-A None JP disclosed
US-20180112015-A1 POLYMERIZATION INITIATOR, MODIFIED CONJUGATED DIENE-BASED POLYMER, AND METHODS FOR PREPARING THEM LG CHEM, LTD. (KR) 2018-04-26 US disclosed
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-6120962-A TONERS FOR DEVELOPMENT OF LATENT IMAGES RICOH COMPANY, LTD. (JP) 2000-09-19 US disclosed
JP-H10287683-A NOVEL ORGANOSILICON COMPOUND, ITS PRODUCTION, AND STATIC CHARGE IMAGE-DEVELOPING TONER, AND DRY IMAGE DEVELOPER USING THE SAME RICOH CO LTD 1998-10-27 JP 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 (3 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 ALDH1A1 1931/4885TSHR 1785/4885DNM1 1114/4885
US-20180112015-A1 POLYMERIZATION INITIATOR, MODIFIED CONJUGATED DIENE-BASED POLYMER, AND METHODS FOR PREPARING THEM RIF1, RAD51, TRRAP ALDH1A1 517/4885TSHR 3880/4885DNM1 1630/4885
US-20090203644-A1 Compositions for treating and/or preventing diseases characterized by the presence of metal ions APP, PSEN1, IAPP ALDH1A1 4682/4885TSHR 3968/4885DNM1 788/4885

“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.