SCHEMBL13775028

SCHEMBL13775028

CC(=O)OCC1OC(OC2C(C)OC(COCc3ccccc3)C(OC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3C)C2OCc2ccccc2)C(C)C(OC(C)=O)C1OC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.48
▸ KMT2A Q03164 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ CYP2D6 P10635 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ NT5E P21589 1/20 0.44
▸ PRKCA P17252 1/20 0.43
▸ AKT1 P31749 1/20 0.43
▸ PTK2 Q05397 1/20 0.43
▸ PTPN1 P18031 5/20 0.42
▸ CDC25B P30305 3/20 0.42
▸ SELP P16109 1/20 0.42
▸ PAX8 Q06710 1/20 0.41
▸ PTPN2 P17706 1/20 0.41
▸ PTPN11 Q06124 1/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA9 Q16790 2/20 0.41

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
SCHEMBL15617817 0.92 CYP2D6 (0.51) LMNAKMT2ATSHRCYP2D6ALDH1A1
SCHEMBL13541650 0.92 CYP2D6 (0.51) LMNAKMT2ATSHRCYP2D6ALDH1A1
SCHEMBL13775076 0.88 CYP2D6 (0.42) LMNAKMT2ATSHRCYP2D6ALDH1A1
SCHEMBL18470832 0.86 LMNA (0.48) LMNAKMT2ATSHRCYP2D6ALDH1A1
SCHEMBL14416242 0.86 NT5E (0.51) LMNACYP2D6ALDH1A1MAPK1NT5E
SCHEMBL14413403 0.86 NT5E (0.51) LMNACYP2D6ALDH1A1MAPK1NT5E
SCHEMBL10148601 0.85 TSHR (0.59) LMNAKMT2ATSHRCYP2D6ALDH1A1
SCHEMBL19976436 0.85 TSHR (0.59) LMNAKMT2ATSHRCYP2D6ALDH1A1
SCHEMBL22677447 0.85 SSTR1 (0.51) LMNAKMT2ATSHRCYP2D6ALDH1A1
SCHEMBL22677754 0.85 SSTR1 (0.51) LMNAKMT2ATSHRCYP2D6ALDH1A1

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 LMNA 3594/4885KMT2A 4254/4885TSHR 1206/4885

“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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