SCHEMBL404381

SCHEMBL404381

O=C(OCc1ccccc1)C1OCC(O)[C@H](OCc2ccccc2)[C@@H]1OCCCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
CASP1 P29466 1/20 0.38
AKR1B10 O60218 1/20 0.37
AKR1B1 P15121 1/20 0.37
CTDSP1 Q9GZU7 2/20 0.37
CYP2D6 P10635 1/20 0.37
APOBEC3A P31941 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
SCHEMBL402930 0.84 BCHE (0.41) LMNAALDH1A1CYP3A4TSHRMAPK1
SCHEMBL404205 0.83 MEN1 (0.37) LMNAALDH1A1CYP3A4TSHRMAPK1
SCHEMBL403757 0.74 BCHE (0.47) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL402682 0.72 PDPK1 (0.40) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL12589064 0.72 PDPK1 (0.46) LMNAALDH1A1CYP3A4TSHRMAPK1
SCHEMBL7621498 0.72 PDPK1 (0.46) LMNAALDH1A1CYP3A4TSHRMAPK1
SCHEMBL14510675 0.72 PDPK1 (0.46) LMNAALDH1A1CYP3A4TSHRMAPK1
SCHEMBL14362882 0.72 BCHE (0.46) ALDH1A1POLBSLC6A2
SCHEMBL14362878 0.72 BCHE (0.46) ALDH1A1POLBSLC6A2
SCHEMBL1561047 0.71 SLC6A2 (0.45) SLC6A2

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 LMNA 3944/4885ALDH1A1 371/4885CYP3A4 538/4885
US-20070270354-A1 Azasugar derivatives, heparanase inhibitors, method for preparing same, compositions containing same, use thereof HPSE, HAAO, HEXD LMNA 3939/4885ALDH1A1 364/4885CYP3A4 544/4885

“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.