SCHEMBL203531

SCHEMBL203531

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
TSHR P16473 5/20 0.44
MAPK1 P28482 1/20 0.43
HIF1A Q16665 1/20 0.43
LMNA P02545 3/20 0.42
F2 P00734 1/20 0.42
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
HSD17B10 Q99714 1/20 0.42
ADRB2 P07550 2/20 0.41
ADRB1 P08588 2/20 0.41
ADRB3 P13945 2/20 0.41
TP53 P04637 1/20 0.41
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL28327322 0.80 CYP2D6 (0.51) CYP1A2CYP2D6CYP2C19TSHRMAPK1
SCHEMBL1784572 0.78 CYP1A2 (0.49) CYP1A2CYP2D6CYP2C19TSHRMAPK1
SCHEMBL7067757 0.76 TSHR (0.44) CYP1A2CYP2D6CYP2C19TSHRMAPK1
SCHEMBL1783907 0.75 CYP1A2 (0.47) CYP1A2CYP2D6CYP2C19TSHRMAPK1
SCHEMBL18489548 0.74 MAPK1 (0.57) CYP1A2CYP2D6CYP2C19TSHRMAPK1
SCHEMBL28048222 0.74 LMNA (0.51) CYP1A2CYP2D6CYP2C19TSHRMAPK1
SCHEMBL1783478 0.74 CYP2D6 (0.52) CYP1A2CYP2D6CYP2C19TSHRMAPK1
SCHEMBL18196084 0.74 CYP2D6 (0.52) CYP1A2CYP2D6CYP2C19TSHRMAPK1
SCHEMBL1787931 0.73 MAPK1 (0.71) CYP1A2CYP2D6CYP2C19TSHRMAPK1
SCHEMBL10281593 0.73 CYP2D6 (0.51) CYP1A2CYP2D6CYP2C19TSHRMAPK1

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 CYP1A2 570/4885CYP2D6 1662/4885CYP2C19 2907/4885

“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.