SCHEMBL5665673

SCHEMBL5665673

Cc1ccc(C(=O)OCC(OCC(C)(C)C)OCC(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 11/20 0.54
ADRB1 P08588 11/20 0.54
ADRB3 P13945 11/20 0.54
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ESR1 P03372 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
ESR2 Q92731 1/20 0.40
CA14 Q9ULX7 1/20 0.40

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
SCHEMBL7089522 0.87 GAA (0.44) ADRB2ADRB1ADRB3MAPTALDH1A1
SCHEMBL7092852 0.87 HPGD (0.43) ADRB2ADRB1ADRB3RAB9ANPC1
SCHEMBL5662710 0.86 ALDH1A1 (0.56) ADRB2ADRB1ADRB3RAB9ANPC1
SCHEMBL7090345 0.85 ADRB2 (0.56) ADRB2ADRB1ADRB3RAB9ANPC1
SCHEMBL5663769 0.83 ADRB2 (0.58) ADRB2ADRB1ADRB3RAB9ANPC1
SCHEMBL7094853 0.83 ADRB2 (0.54) ADRB2ADRB1ADRB3RAB9ANPC1
SCHEMBL12306243 0.82 TDP1 (0.53) ADRB2ADRB1ADRB3RAB9ANPC1
SCHEMBL7089243 0.82 ADRB2 (0.60) ADRB2ADRB1ADRB3MAPTALDH1A1
SCHEMBL7093015 0.79 ADRB2 (0.56) ADRB2ADRB1ADRB3RAB9ANPC1
SCHEMBL5665642 0.77 ADRB2 (0.56) ADRB2ADRB1ADRB3NPC1ALDH1A1

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
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
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 (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.