SCHEMBL1306141

SCHEMBL1306141

CCO[Si](OCC)(OCC)c1ccc(Br)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
S1PR4 O95977 1/20 0.34
LMNA P02545 1/20 0.34
S1PR1 P21453 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTT P42858 1/20 0.34
HPGD P15428 3/20 0.33
IDO1 P14902 2/20 0.32
TARBP2 Q15633 1/20 0.32
GBA1 P04062 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL20478197 0.88 NQO1 (0.35)
SCHEMBL50701 0.88 NQO1 (0.35)
SCHEMBL544789 0.83 NQO1 (0.32)
SCHEMBL17529914 0.83 MAPT (0.34) CYP2A6ALDH1A1MAPTKMT2AMEN1
SCHEMBL545299 0.81 ESR1 (0.34) ALDH1A1MAPTKMT2AMEN1MAPK1
SCHEMBL14429555 0.81 ESR1 (0.34) ALDH1A1MAPTKMT2AMEN1MAPK1
SCHEMBL13933201 0.81 ESR1 (0.34) ALDH1A1MAPTKMT2AMEN1MAPK1
SCHEMBL17937792 0.80 CYP2A6 (0.35) CYP2A6ALDH1A1MAPTKMT2AMEN1
SCHEMBL28062850 0.80 CYP2A6 (0.35) CYP2A6ALDH1A1MAPTKMT2AMEN1
SCHEMBL17937801 0.79 MGLL (0.37) MAPTKMT2AMEN1LMNAMAPK1

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117282465-A Synthesis method of 2, 4-hexadienal 江西香海生物科技有限公司 2023-12-26 CN claimed
CN-117282465-A Synthesis method of 2, 4-hexadienal 江西香海生物科技有限公司 2023-12-26 CN disclosed
WO-2021122431-A1 POLYURETHANE FOAMS BASED ON POLYETHER CARBONATE POLYOLS COVESTRO INTELLECTUAL PROPERTY GMBH & CO. KG (DE) 2021-06-24 WO disclosed
EP-3838964-A1 POLYURETHANE FOAMS BASED ON POLYETHER CARBONATE POLYOLS Covestro Deutschland AG (DE) 2021-06-23 EP disclosed
EP-2990113-B1 METHOD FOR PRODUCING CATALYST FOR CYCLIC CARBONATE SYNTHESIS MARUZEN PETROCHEM CO LTD (JP) 2020-03-25 EP disclosed
EP-2990112-B1 METHOD FOR MANUFACTURING CATALYST FOR SYNTHESIZING CYCLIC CARBONATE MARUZEN PETROCHEM CO LTD (JP) 2020-03-25 EP disclosed
US-10029241-B2 Method for producing catalyst for cyclic carbonate synthesis MARUZEN PETROCHEMICAL CO., LTD. (JP) 2018-07-24 US disclosed
US-10011621-B2 Method for producing silica gel-immobolized phosphonium salt catalysts MARUZEN PETROCHEMICAL CO., LTD. (JP) 2018-07-03 US disclosed
CN-105163853-B The manufacturing method of cyclic carbonate catalyst for synthesizing 丸善石油化学株式会社 2018-06-12 CN disclosed
EP-3260515-A1 POLISHING COMPOSITION Fujimi Incorporated (JP) 2017-12-27 EP disclosed
US-20080227941-A1 Organosilane compound and organosilica obtained therefrom KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2008-09-18 US disclosed
US-20080227941-A1 Organosilane compound and organosilica obtained therefrom KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2008-09-18 US disclosed
US-20070287848-A1 Silicon Compound Containi-Electron Conjugated-System Molecule and Process for Producing the Same SHARP KABUSHIKI KAISHA (JP) 2007-12-13 US disclosed
US-7214475-B2 Partially polymerizing a blend of a bis(trifluorovinyl) derivative of a group of a group 14 metal (especially Si or Ge) compound, another bis(trifluorovinyl) compound, a photocurable compound and a photoinitiator; depositing product on a substrate; exposing to effect photocuring; and curing the product MOMENTIVE PERFORMANCE MATERIALS INC. 2007-05-08 US disclosed
CN-1938342-A Compound for optical material and method for producing the same GEN ELECTRIC (US) 2007-03-28 CN disclosed
EP-1732937-A1 COMPOUND FOR OPTICAL MATERIALS AND METHODS OF FABRICATION General Electric Company (US) 2006-12-20 EP disclosed
WO-2006116584-A2 LIGHT EMITTING POLYMER DEVICES USING SELF-ASSEMBLED MONOLAYER STRUCTURES DYNAMIC ORGANIC LIGHT, INC. (US) 2006-11-02 WO disclosed
WO-2005097843-A1 COMPOUND FOR OPTICAL MATERIALS AND METHODS OF FABRICATION GENERAL ELECTRIC COMPANY (US) 2005-10-20 WO disclosed
US-20050214479-A1 Compound for optical materials and methods of fabrication MOMENTIVE PERFORMANCE MATERIALS INC. 2005-09-29 US disclosed
US-3987009-A TRANSITION METAL CATALYST COMPOSITIONS UNION CARBIDE CORPORATION (US) 1976-10-19 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-20070287848-A1 Silicon Compound Containi-Electron Conjugated-System Molecule and Process for Producing the Same SEM1, F12, ESPL1 CYP2A6 1142/4885ALDH1A1 1828/4885MAPT 1715/4885
US-10029241-B2 Method for producing catalyst for cyclic carbonate synthesis CYCS, CA7, CA9 CYP2A6 311/4885ALDH1A1 3770/4885MAPT 4547/4885
US-20080227941-A1 Organosilane compound and organosilica obtained therefrom OR51E2, WEE1, WEE2 CYP2A6 57/4885ALDH1A1 428/4885MAPT 4715/4885
US-20050214479-A1 Compound for optical materials and methods of fabrication AFF2, AFF1, ELOVL6 CYP2A6 761/4885ALDH1A1 2964/4885MAPT 1796/4885
US-10011621-B2 Method for producing silica gel-immobolized phosphonium salt catalysts SIK2, SIK3, SIK1 CYP2A6 4063/4885ALDH1A1 4167/4885MAPT 4741/4885

“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.