SCHEMBL5665705

SCHEMBL5665705

O=CCOC(=O)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GSK3B P49841 2/20 0.44
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA5 P30532 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
ESR1 P03372 1/20 0.43

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
SCHEMBL6272290 0.90 ESR1 (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL1882104 0.83 SNCA (0.58) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL9296377 0.82 MAPT (0.50) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL7090148 0.81 HPGD (0.53) ALDH1A1MEN1KMT2AMAPTCES2
SCHEMBL5663821 0.81 TRPV1 (0.56) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL11650114 0.80 GAA (0.46) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL11650111 0.80 GAA (0.46) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL1030901 0.80 TDP1 (0.59) GAAALDH1A1KMT2AL3MBTL1NPC1
SCHEMBL811579 0.79 GAA (0.66) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL12148891 0.79 TSHR (0.44) ALDH1A1MAPTNPC1RAB9ASMN1; 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 9 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
EP-0282895-B1 2-oxa-isocephem compounds, compositions containing same and processes for preparing same OTSUKA PHARMA CO LTD (JP) 1995-06-07 EP disclosed
US-5037976-A Antimicrobial Agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-08-06 US disclosed
US-4898859-A 2-Oxa-isocephem compounds and compositions containing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-02-06 US disclosed
EP-0282895-A2 2-oxa-isocephem compounds, compositions containing same and processes for preparing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-09-21 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-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 GAA 98/4885ALDH1A1 14/4885MEN1 2878/4885

“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.