SCHEMBL402948

SCHEMBL402948

COc1ccc(COC2COC(COC(C)=O)C[C@H]2OCc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
BCHE P06276 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
KCNA5 P22460 1/20 0.40
MGLL Q99685 2/20 0.40
FABP7 O15540 1/20 0.39
FABP5 Q01469 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL19976411 0.87 BCHE (0.46) ALDH1A1BCHEMGLL
SCHEMBL402695 0.83 ALDH1A1 (0.46) ALDH1A1BCHEMGLLCYP3A4
SCHEMBL402667 0.82 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTKCNA5FABP7
SCHEMBL402786 0.82 KLK7 (0.42) ALDH1A1BCHEMGLLKMT2A
SCHEMBL404326 0.81 LMNA (0.42) ALDH1A1KCNA5FABP7FABP5CYP3A4
SCHEMBL14362885 0.77 ALDH1A1 (0.39) ALDH1A1BCHEMGLL
SCHEMBL20643004 0.75 BCHE (0.48) BCHE
SCHEMBL21243995 0.73 ALDH1A1 (0.44) ALDH1A1BCHEMAPTNPC1CYP2C19
SCHEMBL14490077 0.73 ALDH1A1 (0.42) ALDH1A1FABP7FABP5NPC1RAB9A
SCHEMBL30040993 0.73 ALDH1A1 (0.47) ALDH1A1BCHEKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065153-A1 AZASUGAR DERIVATIVES, HEPARANASE INHIBITORS, METHOD FOR PREPARING SAME, COMPOSITIONS CONTAINING SAME, USE THEREOF SANOFI-AVENTIS (FR) 2012-03-15 US disclosed
US-20070270354-A1 Azasugar derivatives, heparanase inhibitors, method for preparing same, compositions containing same, use thereof SANOFI-AVENTIS (FR) 2007-11-22 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 (2 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-20120065153-A1 AZASUGAR DERIVATIVES, HEPARANASE INHIBITORS, METHOD FOR PREPARING SAME, COMPOSITIONS CONTAINING SAME, USE THEREOF HPSE, HAAO, HEXD ALDH1A1 371/4885BCHE 1419/4885KDM4E 2221/4885
US-20070270354-A1 Azasugar derivatives, heparanase inhibitors, method for preparing same, compositions containing same, use thereof HPSE, HAAO, HEXD ALDH1A1 364/4885BCHE 1409/4885KDM4E 2210/4885

“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.