SCHEMBL14993100

SCHEMBL14993100

C=C(C)C(=O)OCCC[Si](OC)(OC)OC.C=CC(=O)OC[Si](OC)(OC)OC

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.42
HPGD P15428 1/20 0.41
ALDH1A1 P00352 4/20 0.40
CYP3A4 P08684 1/20 0.40
THRB P10828 2/20 0.36
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TP53 P04637 2/20 0.33
HIF1A Q16665 2/20 0.33
HSD17B10 Q99714 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
SCHEMBL4434827 0.95 TSHR (0.44) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL5448469 0.93 TSHR (0.47) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL3916955 0.89 TSHR (0.52) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL5971626 0.88 TSHR (0.58) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL28246671 0.88 TSHR (0.43) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL28313944 0.87 TSHR (0.42) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL23120125 0.86 TSHR (0.46) TSHRHPGDALDH1A1CYP3A4THRB
Acrylic Acid SCHEMBL25284944 0.86 TSHR (0.46) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL5080728 0.86 TSHR (0.44) TSHRHPGDALDH1A1CYP3A4THRB
Acrylic Acid Ethyl Ester SCHEMBL4457688 0.86 TSHR (0.42) TSHRHPGDALDH1A1CYP3A4THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2785726-B1 ESTER-FUNCTIONAL SILANES AND THE PREPARATION AND USE THEREOF; AND USE OF IMINIUM COMPOUNDS AS PHASE TRANSFER CATALYSTS DOW SILICONES CORP (US) 2018-08-01 EP disclosed
US-9518072-B2 Ester-functional silanes and the preparation and use thereof; and use of iminium compounds as phase transfer catalysts DOW CORNING CORPORATION (US) 2016-12-13 US disclosed
US-20150126676-A1 Ester-Functional Silanes And The Preparation And Use Thereof; And Use Of Iminium Compounds As Phase Transfer Catalysts DOW SILICONES CORPORATION 2015-05-07 US disclosed
EP-2785726-A2 ESTER-FUNCTIONAL SILANES AND THE PREPARATION AND USE THEREOF; AND USE OF IMINIUM COMPOUNDS AS PHASE TRANSFER CATALYSTS Dow Corning Corporation (US) 2014-10-08 EP disclosed
WO-2013081820-A2 ESTER-FUNCTIONAL SILANES AND THE PREPARATION AND USE THEREOF;AND USE OF IMINIUM COMPOUNDS AS PHASE TRANSFER CATALYSTS DOW CORNING CORPORATION (US) 2013-06-06 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-20150126676-A1 Ester-Functional Silanes And The Preparation And Use Thereof; And Use Of Iminium Compounds As Phase Transfer Catalysts ICMT, INTS9, HDHD5 TSHR 4158/4885HPGD 2477/4885ALDH1A1 2430/4885

“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.