SCHEMBL5665608

SCHEMBL5665608

COC(COC(=O)c1ccccc1OC(C)=O)OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
HSD17B10 Q99714 4/20 0.55
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
PTGS2 P35354 5/20 0.53
TSHR P16473 4/20 0.53
HPGD P15428 3/20 0.53
ALDH1A1 P00352 2/20 0.53
ESR1 P03372 1/20 0.53
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
HMGB1 P09429 1/20 0.53
GGT1 P19440 1/20 0.53
PTGS1 P23219 1/20 0.53
BLM P54132 1/20 0.53
NAPRT Q6XQN6 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL15593496 0.88 PTGS2 (0.55) KDM4EHSD17B10LMNACYP1A2CYP2C9
SCHEMBL5664668 0.86 ALDH1A1 (0.53) KDM4ETSHRHPGDALDH1A1ESR1
SCHEMBL5664374 0.86 HSD17B10 (0.52) KDM4EHSD17B10LMNACYP1A2CYP2C9
SCHEMBL1862889 0.85 ALDH1A1 (0.70) KDM4EHSD17B10LMNACYP1A2CYP2C9
SCHEMBL157094 0.84 TSHR (0.67) HSD17B10LMNATSHRALDH1A1TDP1
SCHEMBL13400628 0.82 PTGS2 (0.56) KDM4EHSD17B10LMNACYP1A2CYP2C9
SCHEMBL5663740 0.82 KDM4E (0.52) KDM4EHSD17B10LMNACYP1A2CYP2C9
SCHEMBL13609266 0.82 ALDH1A1 (0.57) KDM4EHSD17B10LMNACYP1A2CYP2C9
SCHEMBL2612522 0.82 PTGS2 (0.70) KDM4EHSD17B10LMNACYP1A2CYP2C9
SCHEMBL3005467 0.81 KDM4E (0.54) KDM4EHSD17B10LMNACYP1A2CYP2C9

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 KDM4E 1415/4885HSD17B10 311/4885LMNA 2068/4885

“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.