SCHEMBL1930664

SCHEMBL1930664

CCOC(COC(=O)c1ccc(OC)cc1)OCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.56
ADRB1 P08588 1/20 0.56
ADRB3 P13945 1/20 0.56
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
ESR2 Q92731 2/20 0.50
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46

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
SCHEMBL5665246 0.85 ADRB2 (0.60) ADRB2ADRB1ADRB3CA1CA2
SCHEMBL7094853 0.84 ADRB2 (0.54) ADRB2ADRB1ADRB3CA1CA2
SCHEMBL7090345 0.84 ADRB2 (0.56) ADRB2ADRB1ADRB3CA1CA2
SCHEMBL5664070 0.83 GAA (0.48) CA1CA2ESR2MAPTSMN1; SMN2
SCHEMBL5663225 0.83 NHERF1 (0.48) CA1CA2ESR2MAPTMEN1
SCHEMBL5665404 0.82 SMN1; SMN2 (0.55) ADRB2ADRB1ADRB3ESR2MAPT
SCHEMBL714676 0.82 ALDH1A1 (0.61) ADRB2ADRB1ADRB3MAPTSMN1; SMN2
SCHEMBL13399586 0.82 ADRB2 (0.63) ADRB2ADRB1ADRB3CA1CA2
SCHEMBL7089906 0.81 NPC1 (0.56) ADRB2ADRB1ADRB3CA1CA2
4-Methoxybenzoic Acid Ethyl Ester SCHEMBL203475 0.81 CA1 (0.66) CA1CA2ESR2MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1461041-A4 PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES PHARMASSET LTD (BB) 2006-03-29 EP claimed
EP-1461041-A2 PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES Pharmasset Ltd. (BB) 2004-09-29 EP claimed
US-20030162992-A1 Reacting a 2,2-dialkoxyethyl halide with an appropriate carboxylate compound to obtain acetal compound; hydrolyzing the acetal to form the alpha -acyloxyacetaldehyde PHARMASSET, INC. 2003-08-28 US claimed
WO-2003051298-A2 PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES PHARMASSET LTD. (BB) 2003-06-26 WO claimed
EP-1720840-B1 METHODS TO MANUFACTURE 1,3-DIOXOLANE NUCLEOSIDES UNIV EMORY (US) 2016-02-03 EP disclosed
US-8420354-B2 Methods to manufacture 1,3-dioxolane nucleosides EMORY UNIVERSITY (US) 2013-04-16 US disclosed
US-20110130559-A1 Methods to Manufacture 1,3-Dioxolane Nucleosides GILEAD SCIENCES, INC. (US) 2011-06-02 US disclosed
US-7785839-B2 Methods to manufacture 1,3-dioxolane nucleosides EMORY UNIVERSITY (US) 2010-08-31 US disclosed
EP-1720840-A4 METHODS TO MANUFACTURE 1,3-DIOXOLANE NUCLEOSIDES UNIV EMORY (US) 2009-01-21 EP disclosed
CN-101044122-A Process for preparing 1, 3-dioxolane nucleosides UNIV EMORY (US) 2007-09-26 CN disclosed
EP-1720840-A2 METHODS TO MANUFACTURE 1,3-DIOXOLANE NUCLEOSIDES EMORY UNIVERSITY (US) 2006-11-15 EP disclosed
US-20060036092-A1 Methods to manufacture 1,3-dioxolane nucleosides SZNAIDMAN MARCOS 2006-02-16 US disclosed
WO-2005074654-A2 METHODS TO MANUFACTURE 1,3-DIOXOLANE NUCLEOSIDES EMORY UNIVERSITY (US) 2005-08-18 WO disclosed
US-20030162992-A1 Reacting a 2,2-dialkoxyethyl halide with an appropriate carboxylate compound to obtain acetal compound; hydrolyzing the acetal to form the alpha -acyloxyacetaldehyde PHARMASSET, INC. 2003-08-28 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 (3 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-20060036092-A1 Methods to manufacture 1,3-dioxolane nucleosides DCTD, AMPD1, DAD1 ADRB2 3468/4885ADRB1 2122/4885ADRB3 3526/4885
US-20110130559-A1 Methods to Manufacture 1,3-Dioxolane Nucleosides DCTD, AMPD1, DAD1 ADRB2 3370/4885ADRB1 2074/4885ADRB3 3411/4885
US-20030162992-A1 Reacting a 2,2-dialkoxyethyl halide with an appropriate carboxylate compound to obtain acetal compound; hydrolyzing the acetal to form the alpha -acyloxyacetaldehyde DERA, DPYD, DHPS ADRB2 2550/4885ADRB1 2164/4885ADRB3 2653/4885

“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.