SCHEMBL12411310

SCHEMBL12411310

C#CCCCOC1OC2COC(C)(C)O[C@H]2[C@@H](OCc2ccccc2)C1OC(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ ABCB1 P08183 5/20 0.31
▸ SELP P16109 4/20 0.31
▸ BCHE P06276 2/20 0.31
▸ SELE P16581 1/20 0.31
▸ TMEM97 Q5BJF2 1/20 0.30
▸ SIGMAR1 Q99720 1/20 0.30
▸ CHRNB2 P17787 1/20 0.30
▸ CHRNB4 P30926 1/20 0.30
▸ CHRNA3 P32297 1/20 0.30
▸ CHRNA4 P43681 1/20 0.30

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
SCHEMBL12411309 0.93 L3MBTL1 (0.36) NT5EL3MBTL1ALDH1A1BCHETMEM97
SCHEMBL12411312 0.86 L3MBTL1 (0.36) L3MBTL1
SCHEMBL10148625 0.83 NT5E (0.39) NT5EL3MBTL1ALDH1A1ABCB1BCHE
SCHEMBL15481395 0.81 L3MBTL1 (0.39) NT5EL3MBTL1ALDH1A1
SCHEMBL13458032 0.79 ALDH1A1 (0.31) ALDH1A1
SCHEMBL12411311 0.78 NT5E (0.36) NT5EL3MBTL1ALDH1A1ABCB1BCHE
SCHEMBL7151120 0.77 L3MBTL1 (0.45) L3MBTL1BCHETMEM97SIGMAR1
SCHEMBL15483272 0.76 L3MBTL1 (0.39) L3MBTL1ALDH1A1ABCB1BCHE
SCHEMBL16378350 0.75 ALDH1A1 (0.37) NT5EALDH1A1ABCB1BCHE
SCHEMBL1647937 0.74 NT5E (0.47) NT5E

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-20110166078-A1 OLIGOSACCHARIDE COMPOUNDS FOR USE IN MOBILISING STEM CELLS ENDOTIS PHARMA 2011-07-07 — — 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-20110166078-A1 OLIGOSACCHARIDE COMPOUNDS FOR USE IN MOBILISING STEM CELLS CXCL12, CCL11, FUT6 NT5E 4131/4885L3MBTL1 3508/4885ALDH1A1 987/4885

“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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