SCHEMBL5664129

SCHEMBL5664129

CCOC(COC(=O)c1cccc(Cl)c1)OCC

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
HPGD P15428 1/20 0.46
EPHX1 P07099 1/20 0.45
ELANE P08246 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
PARP1 P09874 1/20 0.42
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42

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
SCHEMBL5666373 0.85 CHRM2 (0.52) CHRM2CHRM4CHRM1CHRM3L3MBTL1
SCHEMBL5663444 0.85 CHRM2 (0.47) CHRM2CHRM4CHRM1CHRM3L3MBTL1
SCHEMBL7095551 0.84 ADRB2 (0.56) L3MBTL1RAB9AALDH1A1HPGDCYP4F2
SCHEMBL5663951 0.84 MAPK1 (0.55) L3MBTL1RAB9AALDH1A1HPGDLMNA
SCHEMBL197307 0.83 TRPV1 (0.61) CHRM2CHRM4CHRM1CHRM3L3MBTL1
SCHEMBL29443099 0.83 TRPV1 (0.61) CHRM2CHRM4CHRM1CHRM3L3MBTL1
SCHEMBL5662716 0.82 TDP1 (0.49) CHRM2CHRM4CHRM1CHRM3L3MBTL1
SCHEMBL5664070 0.82 GAA (0.48) ALDH1A1TRPV1HPGDLMNATP53
SCHEMBL6057293 0.82 CHRM2 (0.55) CHRM2CHRM4CHRM1CHRM3L3MBTL1
SCHEMBL5665404 0.82 SMN1; SMN2 (0.55) RAB9AALDH1A1ELANETP53PARP1

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
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-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 CHRM2 4324/4885CHRM4 4415/4885CHRM1 3614/4885

“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.