SCHEMBL630893

SCHEMBL630893

CCOC(=O)C[Si](CC(=O)OCC)(CC(C)C)CC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
ALDH1A1 P00352 3/20 0.43
TRPA1 O75762 1/20 0.43
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
MMP8 P22894 1/20 0.38
CYP1A2 P05177 1/20 0.38
LMNA P02545 2/20 0.37
HSD17B10 Q99714 1/20 0.37
ALOX15 P16050 1/20 0.36
SOAT1 P35610 1/20 0.36
HCAR2 Q8TDS4 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 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
SCHEMBL631942 0.75 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL27845082 0.72 MGAM (0.55) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL630993 0.72 CYP2D6 (0.33) ALDH1A1CYP1A2
SCHEMBL27828 0.72
Ethane SCHEMBL15442720 0.70 MGAM (0.52) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL11237858 0.70 GAA (0.75) GAAMGAMSIMGAM2ALDH1A1
Hydrochloric Acid SCHEMBL29184752 0.70 MGAM (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL435045 0.69 GAA (0.57) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL631915 0.69 GAA (0.57) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL103981 0.68 L3MBTL1 (0.53) GAAMGAMSIMGAM2ALDH1A1

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-8247341-B2 Procatalyst composition with silyl glutarate and method DOW GLOBAL TECHNOLOGIES LLC (US) 2012-08-21 US disclosed
US-8247341-B2 Procatalyst composition with silyl glutarate and method DOW GLOBAL TECHNOLOGIES LLC (US) 2012-08-21 US disclosed
EP-2419458-A1 PROCATALYST COMPOSITION WITH SILYL GLUTARATE AND METHOD Dow Global Technologies LLC (US) 2012-02-22 EP disclosed
US-20100267911-A1 Procatalyst Composition with Silyl Glutarate and Method DOW GLOBAL TECHNOLOGIES INC. (US) 2010-10-21 US disclosed
US-20100267911-A1 Procatalyst Composition with Silyl Glutarate and Method DOW GLOBAL TECHNOLOGIES INC. (US) 2010-10-21 US disclosed
WO-2010120973-A1 PROCATALYST COMPOSITION WITH SILYL GLUTARATE AND METHOD DOW GLOBAL TECHNOLOGIES INC. (US) 2010-10-21 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-20100267911-A1 Procatalyst Composition with Silyl Glutarate and Method MPST, TST, TKT GAA 282/4885MGAM 689/4885SI 349/4885

“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.