SCHEMBL403099

SCHEMBL403099

CCC1OCC(OC(C)=O)[C@H](OCc2ccccc2)[C@@H]1OCCCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.43
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC6A2 P23975 1/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
NAAA Q02083 2/20 0.37
METAP2 P50579 2/20 0.36
OPRM1 P35372 1/20 0.36
KLK7 P49862 1/20 0.36
KLK5 Q9Y337 1/20 0.36
AGTR2 P50052 4/20 0.36

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
SCHEMBL14363014 0.85 BCHE (0.38) BCHEMEN1KMT2ASLC6A2POLB
SCHEMBL402930 0.84 BCHE (0.41) BCHEMEN1KMT2ASLC6A2POLB
SCHEMBL19980839 0.82 BCHE (0.47) BCHESLC6A2KLK7KLK5
SCHEMBL403846 0.81 TDP1 (0.48) BCHEMEN1KMT2ASLC6A2OPRM1
SCHEMBL19976424 0.78 TSHR (0.51) BCHEKMT2ASLC6A2POLBGAA
SCHEMBL402639 0.77 SLC6A2 (0.60) BCHESLC6A2POLBGAAMETAP2
SCHEMBL22582956 0.76 BCHE (0.45) BCHESLC6A2KLK7KLK5
SCHEMBL22965651 0.76 BCHE (0.48) BCHEPOLBGAAMETAP2
SCHEMBL21339695 0.74 BCHE (0.48) BCHEKMT2ASLC6A2POLBGAA
SCHEMBL30040993 0.74 ALDH1A1 (0.47) BCHEKMT2ASLC6A2POLBKLK7

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 1 patent. 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

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-20120065153-A1 AZASUGAR DERIVATIVES, HEPARANASE INHIBITORS, METHOD FOR PREPARING SAME, COMPOSITIONS CONTAINING SAME, USE THEREOF HPSE, HAAO, HEXD BCHE 1419/4885MEN1 3276/4885KMT2A 3743/4885

“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.