SCHEMBL17320856

SCHEMBL17320856

C[C@H]1C(=O)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.46
ACHE P22303 2/20 0.46
TACR2 P21452 3/20 0.45
HTR1A P08908 1/20 0.43
LMNA P02545 1/20 0.43
NT5E P21589 1/20 0.43
SSTR1 P30872 1/20 0.41
SSTR2 P30874 1/20 0.41
SSTR4 P31391 1/20 0.41
SSTR3 P32745 1/20 0.41
SSTR5 P35346 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
PTPN1 P18031 5/20 0.40
CDC25B P30305 5/20 0.40
PTPN2 P17706 2/20 0.39
PTPN6 P29350 2/20 0.39
PTPN11 Q06124 2/20 0.39

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
SCHEMBL13449577 0.91 BCHE (0.45) BCHEACHETACR2HTR1ALMNA
SCHEMBL13112800 0.85 BCHE (0.56) BCHEACHETACR2HTR1ALMNA
SCHEMBL12407911 0.85 BCHE (0.56) BCHEACHETACR2HTR1ALMNA
SCHEMBL500473 0.85 BCHE (0.56) BCHEACHETACR2HTR1ALMNA
SCHEMBL18511226 0.85 BCHE (0.56) BCHEACHETACR2HTR1ALMNA
SCHEMBL1087871 0.85 BCHE (0.56) BCHEACHETACR2HTR1ALMNA
SCHEMBL16027502 0.85 BCHE (0.56) BCHEACHETACR2HTR1ALMNA
SCHEMBL22330780 0.85 BCHE (0.56) BCHEACHETACR2HTR1ALMNA
SCHEMBL22129916 0.85 BCHE (0.56) BCHEACHETACR2HTR1ALMNA
SCHEMBL13956209 0.85 BCHE (0.56) BCHEACHETACR2HTR1ALMNA

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-20150353573-A1 GEM-DIFLUORINATED C-GLYCOSIDE COMPOUNDS AS ANTI-CANCER AGENTS ADVANOMICS CORPORATION (CA) 2015-12-10 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-20150353573-A1 GEM-DIFLUORINATED C-GLYCOSIDE COMPOUNDS AS ANTI-CANCER AGENTS GMNN, DDOST, MAGT1 BCHE 1694/4885ACHE 2346/4885TACR2 4578/4885

“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.