SCHEMBL403092

SCHEMBL403092

CCC1OCC(OCc2ccc(OC)cc2)[C@H](OCc2ccccc2)[C@@H]1O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.48
TACR1 P25103 1/20 0.40
KCNA5 P22460 2/20 0.40
LTA4H P09960 1/20 0.38
BCHE P06276 1/20 0.38
SSTR5 P35346 1/20 0.37
TSHR P16473 1/20 0.37
SIGMAR1 Q99720 1/20 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
SCHEMBL404173 0.91 SLC6A2 (0.59) SLC6A2TACR1KCNA5LTA4HBCHE
SCHEMBL14363012 0.84 SLC6A2 (0.43) SLC6A2TACR1KCNA5BCHESSTR5
SCHEMBL403846 0.83 TDP1 (0.48) SLC6A2TACR1KCNA5BCHESSTR5
SCHEMBL19145004 0.80 SLC6A2 (0.69) SLC6A2BCHETSHR
SCHEMBL14180142 0.80 TACR1 (0.46) TACR1KCNA5LTA4HTSHRSIGMAR1
SCHEMBL14180088 0.79 TACR1 (0.48) TACR1KCNA5LTA4HSIGMAR1
SCHEMBL13295940 0.79 SLC6A2 (0.49) SLC6A2BCHESSTR5
SCHEMBL22073086 0.78 SLC6A2 (0.54) SLC6A2BCHE
SCHEMBL7426465 0.77 LTA4H (0.55) TACR1LTA4HBCHETSHRSIGMAR1
SCHEMBL22367763 0.77 SLC6A2 (0.46) 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 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 SLC6A2 2728/4885TACR1 531/4885KCNA5 1814/4885

“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.