SCHEMBL16010795

SCHEMBL16010795

O=[N+]([O-])c1ccc(O[C@@]2(O)O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
NFKB1 P19838 1/20 0.41
THPO P40225 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PMP22 Q01453 1/20 0.41
MANBA O00462 1/20 0.39
LGALS3 P17931 1/20 0.38
GBA1 P04062 1/20 0.37
GAA P10253 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
HK1 P19367 1/20 0.36
HK2 P52789 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
SCHEMBL14843742 1.00 CYP1A2 (0.41) CYP1A2NFKB1THPOALDH1A1PMP22
SCHEMBL14843740 1.00 CYP1A2 (0.41) CYP1A2NFKB1THPOALDH1A1PMP22
SCHEMBL28704897 0.81 CYP1A2 (0.39) CYP1A2NFKB1THPOALDH1A1PMP22
SCHEMBL27821172 0.81 MANBA (0.39) CYP1A2NFKB1THPOALDH1A1PMP22
SCHEMBL14844148 0.80 TYR (0.38)
SCHEMBL14844151 0.80 TYR (0.38)
SCHEMBL16010800 0.80 TYR (0.38)
SCHEMBL9806236 0.79 CYP1A2 (0.45) CYP1A2NFKB1THPOALDH1A1PMP22
SCHEMBL16275084 0.79 CYP1A2 (0.45) CYP1A2NFKB1THPOALDH1A1PMP22
SCHEMBL3661393 0.79 SLC5A2 (0.38)

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-20140256924-A1 CARBOHYDRATE FUNCTIONALISED SURFACES THE PROVOST, FELLOWS, FOUNDATION SCHOLARS AND THE OTHER MEMBERS OF BOARD OF (IE) 2014-09-11 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-20140256924-A1 CARBOHYDRATE FUNCTIONALISED SURFACES CD2, CD47, CD22 CYP1A2 3643/4885NFKB1 2101/4885THPO 290/4885

“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.