SCHEMBL817341

SCHEMBL817341

C/C=C(\O[Si](C)(C)C)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
F2 P00734 2/20 0.34
F10 P00742 1/20 0.34
F12 P00748 1/20 0.34
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
PKM P14618 1/20 0.34
BLM P54132 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.32
KMT2A Q03164 5/20 0.32
ALDH1A1 P00352 3/20 0.32
CES2 O00748 3/20 0.32
CES1 P23141 3/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
C1S P09871 1/20 0.32
PRSS3 P35030 1/20 0.32

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
SCHEMBL4442135 1.00 TSHR (0.35) TSHRF2F10F12F7
SCHEMBL5595601 1.00 TSHR (0.35) TSHRF2F10F12F7
SCHEMBL23152626 0.88 SMN1; SMN2 (0.42) LMNAALDH1A1MAPK1MAPTNPC1
SCHEMBL23152625 0.88 SMN1; SMN2 (0.42) LMNAALDH1A1MAPK1MAPTNPC1
SCHEMBL14471815 0.83 CYP19A1 (0.34) TSHRF2LMNATP53KMT2A
SCHEMBL14471814 0.83 CYP19A1 (0.34) TSHRF2LMNATP53KMT2A
SCHEMBL14471831 0.83 CYP19A1 (0.34) TSHRF2LMNATP53KMT2A
SCHEMBL11412872 0.82 AKR1C1 (0.41) TSHRLMNAKMT2AALDH1A1MAPK1
SCHEMBL23152622 0.82 AKR1C1 (0.41) TSHRLMNAKMT2AALDH1A1MAPK1
SCHEMBL11412870 0.82 AKR1C1 (0.41) TSHRLMNAKMT2AALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809567-B2 Method for producing silylenol ethers KYOTO UNIVERSITY (JP) 2014-08-19 US disclosed
US-8809567-B2 Method for producing silylenol ethers KYOTO UNIVERSITY (JP) 2014-08-19 US disclosed
US-8809567-B2 Method for producing silylenol ethers KYOTO UNIVERSITY (JP) 2014-08-19 US disclosed
EP-2545991-B1 GOLD POLYMER NANO-STRUCTURE-SUPPORTED SCANDIUM CATALYST AND USE OF THE SAME JAPAN SCIENCE & TECH AGENCY (JP) 2014-06-04 EP disclosed
US-8735522-B2 Gold-polymer nanostructure-immobilized scandium catalyst and its use JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-05-27 US disclosed
US-8735522-B2 Gold-polymer nanostructure-immobilized scandium catalyst and its use JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-05-27 US disclosed
US-20130059999-A1 GOLD-POLYMER NANOSTRUCTURE-IMMOBILIZED SCANDIUM CATALYST AND ITS USE JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2013-03-07 US disclosed
US-20130053567-A1 METHOD FOR PRODUCING SILYLENOL ETHERS KYOTO UNIVERSITY (JP) 2013-02-28 US disclosed
US-20130053567-A1 METHOD FOR PRODUCING SILYLENOL ETHERS KYOTO UNIVERSITY (JP) 2013-02-28 US disclosed
US-20130053567-A1 METHOD FOR PRODUCING SILYLENOL ETHERS KYOTO UNIVERSITY (JP) 2013-02-28 US disclosed
EP-2543674-A1 METHOD FOR PRODUCING SILYLENOL ETHERS Kyoto University (JP) 2013-01-09 EP disclosed
EP-2543674-A1 METHOD FOR PRODUCING SILYLENOL ETHERS Kyoto University (JP) 2013-01-09 EP disclosed
US-7906651-B2 Catalytic system of asymmetric reactions in aqueous media; react a silicon enolate and formaldehyde; catalyst obtained by mixing chiral ligands with scandium triflate JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-03-15 US disclosed
US-7541307-B2 Method for manufacturing an optically active hydroxymethylated compound and a catalyst therefore JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2009-06-02 US disclosed
US-20080269496-A1 Method for Producing Optically Active Hydroxymethylated Compounds JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2008-10-30 US disclosed
US-20080139835-A1 Method for Manufacturing an Optically Active Hydroxymethylated Compound and a Catalyst Therefore JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2008-06-12 US disclosed
US-7323603-B2 Reacting an aldehyde with a silyl enol ether in an aqueous medium in the presence of a boronic acid, a surfactant, and a Bronsted acid JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2008-01-29 US disclosed
US-20070238902-A1 Method for Performing Aldol Reaction in Water JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2007-10-11 US disclosed
US-7235698-B2 Enantioselective, catalytic allylation of ketones and olefins CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-06-26 US disclosed
US-7235698-B2 Enantioselective, catalytic allylation of ketones and olefins CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-06-26 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 (5 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-20080139835-A1 Method for Manufacturing an Optically Active Hydroxymethylated Compound and a Catalyst Therefore OGFOD1, POF1B, EEF1D TSHR 1298/4885F2 249/4885F10 521/4885
US-20080269496-A1 Method for Producing Optically Active Hydroxymethylated Compounds TET1, TET3, CYP3A4 TSHR 3982/4885F2 2040/4885F10 3591/4885
US-20130059999-A1 GOLD-POLYMER NANOSTRUCTURE-IMMOBILIZED SCANDIUM CATALYST AND ITS USE SCLY, SPIN3, ACSL3 TSHR 1100/4885F2 632/4885F10 1796/4885
US-20130053567-A1 METHOD FOR PRODUCING SILYLENOL ETHERS AKR7A2, MSMO1, CYP2E1 TSHR 4458/4885F2 713/4885F10 1526/4885
US-20070238902-A1 Method for Performing Aldol Reaction in Water AKR1C3, ADH1C, ADH5 TSHR 850/4885F2 198/4885F10 1038/4885

“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.