SCHEMBL202541

SCHEMBL202541

CC(C[SiH3])(OC(=O)c1ccccc1)OC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP1A2 P05177 1/20 0.51
TDP1 Q9NUW8 5/20 0.50
TSHR P16473 4/20 0.50
ALDH1A1 P00352 3/20 0.50
HSD17B10 Q99714 1/20 0.50
HIF1A Q16665 2/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 2/20 0.47
F2 P00734 1/20 0.47
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SLC6A3 Q01959 2/20 0.43
KMT2A Q03164 2/20 0.43
HTR1A P08908 1/20 0.43
SCN1A P35498 1/20 0.43
SCN5A Q14524 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43

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
SCHEMBL28035570 0.80 CYP2D6 (0.54) CYP2D6CYP2C19CYP1A2TDP1TSHR
SCHEMBL9476209 0.79 CYP2D6 (0.49) CYP2D6CYP2C19CYP1A2TDP1TSHR
SCHEMBL29199324 0.78 TDP1 (0.64) CYP2D6CYP2C19CYP1A2TDP1TSHR
Hydrogen Peroxide SCHEMBL28474133 0.78 TDP1 (0.64) CYP2D6CYP2C19CYP1A2TDP1TSHR
SCHEMBL260960 0.78 TDP1 (0.64) CYP2D6CYP2C19CYP1A2TDP1TSHR
SCHEMBL1786261 0.78 TSHR (0.59) CYP2D6CYP2C19CYP1A2TDP1TSHR
SCHEMBL1953844 0.78 TSHR (0.59) CYP2D6CYP2C19CYP1A2TDP1TSHR
Hydrogen Peroxide SCHEMBL28425777 0.78 TDP1 (0.64) CYP2D6CYP2C19CYP1A2TDP1TSHR
SCHEMBL263461 0.77 TDP1 (0.58) CYP2D6CYP2C19CYP1A2TDP1TSHR
Hydrochloric Acid SCHEMBL23276979 0.76 TDP1 (0.62) CYP2D6CYP2C19CYP1A2TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088872-B2 Procatalyst composition including silyl ester internal donor and method DOW GLOBAL TECHNOLOGIES LLC (US) 2012-01-03 US claimed
US-20100130709-A1 Procatalyst Composition Including Silyl Ester Internal Donor and Method W. R. GRACE & CO.-CONN. 2010-05-27 US claimed
EP-2350143-B1 PROCATALYST COMPOSITION MULTIPLE INTERNAL DONOR HAVING SILYL ESTER AND METHOD GRACE W R & CO (US) 2016-02-17 EP disclosed
EP-2350144-B1 PROCATALYST COMPOSITION INCLUDING SILYL ESTER INTERNAL DONOR AND METHOD GRACE W R & CO (US) 2015-07-15 EP disclosed
US-8222357-B2 Procatalyst composition with multiple internal donor having silyl ester and method UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY LLC (US) 2012-07-17 US disclosed
US-8088872-B2 Procatalyst composition including silyl ester internal donor and method DOW GLOBAL TECHNOLOGIES LLC (US) 2012-01-03 US disclosed
EP-2350144-A1 PROCATALYST COMPOSITION INCLUDING SILYL ESTER INTERNAL DONOR AND METHOD Dow Global Technologies LLC (US) 2011-08-03 EP disclosed
WO-2010065361-A1 PROCATALYST COMPOSITION INCLUDING SILYL ESTER INTERNAL DONOR AND METHOD DOW GLOBAL TECHNOLOGIES INC. (US) 2010-06-10 WO disclosed
US-20100130710-A1 Procatalyst Composition with Multiple Internal Donor Having Silyl Ester and Method W. R. GRACE & CO.-CONN. 2010-05-27 US disclosed
US-20100130709-A1 Procatalyst Composition Including Silyl Ester Internal Donor and Method W. R. GRACE & CO.-CONN. 2010-05-27 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-20100130709-A1 Procatalyst Composition Including Silyl Ester Internal Donor and Method GNE, NANS, ELANE CYP2D6 1662/4885CYP2C19 2907/4885CYP1A2 570/4885

“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.