SCHEMBL5665286

SCHEMBL5665286

CCCCCC(=O)OCC(OC)OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.62
LMNA P02545 2/20 0.61
ALDH1A1 P00352 1/20 0.61
KDM4E B2RXH2 1/20 0.59
DUSP3 P51452 1/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
ENPP2 Q13822 8/20 0.58
DGKA P23743 1/20 0.57
LPAR6 P43657 3/20 0.56
LPAR1 Q92633 3/20 0.56
LPAR4 Q99677 3/20 0.56
LPAR5 Q9H1C0 3/20 0.56
LPAR2 Q9HBW0 3/20 0.56
LPAR3 Q9UBY5 3/20 0.56
CYP3A4 P08684 1/20 0.56
TSHR P16473 1/20 0.56
ATM Q13315 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
PRKCA P17252 1/20 0.56

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
SCHEMBL5668036 0.98 MAPT (0.66) MAPTLMNAALDH1A1KDM4EDUSP3
SCHEMBL5664390 0.94 MAPT (0.55) MAPTLMNAALDH1A1KDM4EDUSP3
SCHEMBL610470 0.92 MAPT (0.50) MAPTLMNAALDH1A1KDM4EDUSP3
SCHEMBL10922401 0.90 MAPT (0.53) MAPTLMNAALDH1A1KDM4EDUSP3
SCHEMBL5670211 0.89 DGKA (0.68) ENPP2DGKALPAR6LPAR1LPAR4
SCHEMBL5670209 0.89 DGKA (0.68) ENPP2DGKALPAR6LPAR1LPAR4
SCHEMBL10918523 0.88 TSHR (0.48) MAPTLMNAALDH1A1KDM4EDUSP3
SCHEMBL783993 0.86 ALDH1A1 (0.46) MAPTLMNAALDH1A1KDM4EDUSP3
SCHEMBL11720069 0.83 TSHR (0.43) MAPTLMNAALDH1A1KDM4EDUSP3
SCHEMBL25474414 0.83 ENPP2 (0.79) MAPTLMNAALDH1A1ENPP2LPAR6

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 11 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-1471923-A4 AMIDO MACROLIDES KOSAN BIOSCIENCES INC (US) 2006-01-11 EP disclosed
EP-1471923-A1 AMIDO MACROLIDES Kosan Biosciences, Inc. (US) 2004-11-03 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-2003061671-A1 AMIDO MACROLIDES KOSAN BIOSCIENCES, INC. (US) 2003-07-31 WO 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 MAPT 3554/4885LMNA 2068/4885ALDH1A1 14/4885

“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.