SCHEMBL4442945

SCHEMBL4442945

COC(OC)(OC)C(OC)(OC)OC

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL18650121 0.75 ALDH1A1 (0.46) ALDH1A1TSHRTDP1
SCHEMBL8567440 0.71 ALDH1A1 (0.33) ALDH1A1
SCHEMBL30140471 0.71 ALDH1A1 (0.43) ALDH1A1TSHRTDP1
SCHEMBL3676063 0.71 ALDH1A1 (0.33) ALDH1A1
Methoxymethane SCHEMBL28374811 0.63
SCHEMBL6223 0.62
SCHEMBL503396 0.62
SCHEMBL8679785 0.62 ALDH1A1 (1.00) ALDH1A1TSHRTDP1
SCHEMBL46522 0.62
SCHEMBL10463 0.59

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115818653-B Mesoporous silica microsphere and preparation method and application thereof 天津博蕴纯化装备材料科技有限公司 2023-09-01 CN claimed
CN-115818653-A Mesoporous silica microsphere and preparation method and application thereof 天津博蕴纯化装备材料科技有限公司 2023-03-21 CN claimed
US-7586015-B2 Process for the preparation of 1,3,2-oxazaborolidine compounds ZACH SYSTEM (FR) 2009-09-08 US claimed
US-20080139851-A1 R2, R3, R4 and R5 are especially a hydrogen atom or an alkyl,wherein the following are reacted in two steps:a) a boric precursor compound with an acetal compound to give a boronate compound; and) the boronate compound with an amino alcohol compound PPG-SIPSY (FR) 2008-06-12 US claimed
CN-115818653-B Mesoporous silica microsphere and preparation method and application thereof 天津博蕴纯化装备材料科技有限公司 2023-09-01 CN disclosed
CN-115818653-A Mesoporous silica microsphere and preparation method and application thereof 天津博蕴纯化装备材料科技有限公司 2023-03-21 CN disclosed
CN-106946666-A The synthesis technique of trimethyl orthoformate 临沭县华盛化工有限公司 2017-07-14 CN disclosed
EP-0490631-A2 Ion-selective electrodes Harris, Steven J. (IE) 1992-06-17 EP 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-20080139851-A1 R2, R3, R4 and R5 are especially a hydrogen atom or an alkyl,wherein the following are reacted in two steps:a) a boric precursor compound with an acetal compound to give a boronate compound; and) the boronate compound with an amino alcohol compound ADH1A, ADH1C, ADH5 ALDH1A1 454/4885TSHR 122/4885TDP1 3751/4885

“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.