SCHEMBL13775076

SCHEMBL13775076

CC(=O)OCC1OC(OCC2OC(OCC3OC(OC4C(COCc5ccccc5)OC(OC5C(COC6OC(C)C(OCc7ccccc7)C(OCc7ccccc7)C6OCc6ccccc6)OC(C)C(C)C5OCc5ccccc5)C(C)C4OCc4ccccc4)C(OC(C)=O)C(OC4OC(COCc5ccccc5)C(OC5OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C5C)C(OCc5ccccc5)C4OC4OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C4C)C3OC(C)=O)C(OC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3C)C(OC(C)=O)C2OC(C)=O)C(C)C(OC(C)=O)C1OC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ PRKCA P17252 1/20 0.41
▸ AKT1 P31749 1/20 0.41
▸ PTK2 Q05397 1/20 0.41
▸ CA1 P00915 6/20 0.41
▸ CA2 P00918 6/20 0.41
▸ CA9 Q16790 6/20 0.41
▸ LMNA P02545 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NT5E P21589 1/20 0.41
▸ PAX8 Q06710 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CA12 O43570 5/20 0.39
▸ SELP P16109 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ PTPN1 P18031 2/20 0.39
▸ CDC25B P30305 1/20 0.39
▸ PTPN2 P17706 1/20 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
SCHEMBL13541650 0.89 CYP2D6 (0.51) CYP2D6ALDH1A1MAPK1PRKCAAKT1
SCHEMBL15617817 0.89 CYP2D6 (0.51) CYP2D6ALDH1A1MAPK1PRKCAAKT1
SCHEMBL14413407 0.88 NT5E (0.48) NT5EPTPN1CDC25BPTPN2PTPN11
SCHEMBL13775028 0.88 LMNA (0.48) CYP2D6ALDH1A1MAPK1PRKCAAKT1
SCHEMBL14416246 0.88 NT5E (0.49) NT5ESELPPTPN1CDC25BPTPN2
SCHEMBL13775055 0.87 L3MBTL1 (0.41) CYP2D6ALDH1A1MAPK1PRKCAAKT1
SCHEMBL14413406 0.87 NT5E (0.47) CYP2D6ALDH1A1MAPK1NT5EPTPN1
SCHEMBL12871737 0.86 NT5E (0.45) CYP2D6ALDH1A1MAPK1PRKCAAKT1
SCHEMBL13308239 0.86 NT5E (0.49) CYP2D6ALDH1A1MAPK1PRKCAAKT1
SCHEMBL22677700 0.85 NT5E (0.44) CYP2D6ALDH1A1MAPK1PRKCAAKT1

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-20090176970-A1 Preparation of Thiosugars and Their Use GLYCOFORM LIMITED (GB) 2009-07-09 — — 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-20090176970-A1 Preparation of Thiosugars and Their Use TST, TREH, FUT6 CYP2D6 1322/4885ALDH1A1 1374/4885MAPK1 4520/4885

“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.

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