SCHEMBL10148625

SCHEMBL10148625

C[C@H]1OC2COC(C)(C)O[C@H]2[C@H](OCc2ccccc2)C1OC(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ ABCB1 P08183 12/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ BCHE P06276 1/20 0.36
▸ TMEM97 Q5BJF2 1/20 0.36
▸ SIGMAR1 Q99720 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
SCHEMBL12411311 0.87 NT5E (0.36) NT5EALDH1A1ABCB1L3MBTL1BCHE
SCHEMBL15481395 0.85 L3MBTL1 (0.39) NT5EALDH1A1L3MBTL1
SCHEMBL11981188 0.84 BCHE (0.40) NT5EL3MBTL1BCHE
SCHEMBL10148633 0.83 L3MBTL1 (0.38) L3MBTL1BCHETMEM97SIGMAR1
SCHEMBL12411310 0.83 NT5E (0.37) NT5EALDH1A1ABCB1L3MBTL1BCHE
SCHEMBL3856812 0.79 ALDH1A1 (0.46) NT5EALDH1A1L3MBTL1BCHE
SCHEMBL7691337 0.78 ALDH1A1 (0.55) ALDH1A1ABCB1
SCHEMBL17773534 0.78 PTGES2 (0.41) ALDH1A1ABCB1BCHE
SCHEMBL16378350 0.78 ALDH1A1 (0.37) NT5EALDH1A1ABCB1BCHE
SCHEMBL14362931 0.78 METAP2 (0.37) L3MBTL1BCHETMEM97SIGMAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114970-B2 Synthetic heparin monosaccharides ALCHEMIA LIMITED (AU) 2012-02-14 — — US disclosed
US-20090187013-A1 SYNTHETIC HEPARIN PENTASACCHARIDES ALCHEMIA LIMITED (AU) 2009-07-23 — — US disclosed
US-7541445-B2 Synthetic heparin pentasaccharides ALCHEMIA LIMITED (AU) 2009-06-02 — — 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-20090187013-A1 SYNTHETIC HEPARIN PENTASACCHARIDES HPSE, DDOST, STT3A NT5E 1426/4885ALDH1A1 4671/4885ABCB1 4767/4885

“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.

Send feedback