SCHEMBL5665246

SCHEMBL5665246

COc1ccc(C(=O)OCC(OC)OC)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.60
ADRB1 P08588 1/20 0.60
ADRB3 P13945 1/20 0.60
CA1 P00915 5/20 0.56
CA2 P00918 5/20 0.56
ESR2 Q92731 1/20 0.54
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
GSK3B P49841 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47

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
SCHEMBL28803505 0.91 MAPT (0.51) ADRB2ADRB1ADRB3CA1CA2
SCHEMBL13399586 0.86 ADRB2 (0.63) ADRB2ADRB1ADRB3CA1CA2
SCHEMBL1930664 0.85 ADRB2 (0.56) ADRB2ADRB1ADRB3CA1CA2
SCHEMBL7093015 0.84 ADRB2 (0.56) ADRB2ADRB1ADRB3CA1CA2
SCHEMBL31141339 0.84 MAPT (0.63) ADRB2ADRB1ADRB3CA1CA2
SCHEMBL1985352 0.84 ADRB2 (0.66) ADRB2ADRB1ADRB3CA1CA2
SCHEMBL12017972 0.83 ADRB2 (0.60) ADRB2ADRB1ADRB3CA1CA2
SCHEMBL7091582 0.83 GAA (0.50) ADRB2ADRB1ADRB3NPC1RAB9A
SCHEMBL7093992 0.83 HPGD (0.49) ADRB2ADRB1ADRB3NPC1RAB9A
SCHEMBL784821 0.82 ALDH1A1 (0.65) ADRB2ADRB1ADRB3NPC1RAB9A

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
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
EP-1461041-A4 PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES PHARMASSET LTD (BB) 2006-03-29 EP disclosed
EP-1461041-A2 PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES Pharmasset Ltd. (BB) 2004-09-29 EP 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
WO-2003051298-A2 PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES PHARMASSET LTD. (BB) 2003-06-26 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-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.