SCHEMBL5663231

SCHEMBL5663231

CC1(C)O[C@H]2O[C@](COC(=O)c3ccccc3)([C@](O)(CO)C(=O)c3ccccc3)[C@H](OCc3ccccc3)[C@H]2O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ HPGD P15428 2/20 0.35
▸ LMNA P02545 1/20 0.33
▸ BCHE P06276 3/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ GSTP1 P09211 2/20 0.32
▸ ABCB1 P08183 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL22335650 0.80 ALDH1A1 (0.52) ALDH1A1SLC6A2SLC6A3KMT2ATDP1
SCHEMBL7832703 0.80 KMT2A (0.37) ALDH1A1SLC6A2SLC6A3KMT2ATDP1
SCHEMBL2767887 0.76 ALDH1A1 (0.45) ALDH1A1SLC6A2SLC6A3KMT2ATDP1
SCHEMBL16063070 0.76 ALDH1A1 (0.51) ALDH1A1SLC6A3TDP1HPGDLMNA
SCHEMBL4621793 0.74 ALDH1A1 (0.45) ALDH1A1SLC6A2SLC6A3KMT2ATDP1
SCHEMBL16063059 0.74 ALDH1A1 (0.54) ALDH1A1SLC6A2SLC6A3KMT2ATDP1
SCHEMBL22799523 0.72 ALDH1A1 (0.53) ALDH1A1SLC6A2SLC6A3KMT2ATDP1
SCHEMBL22799896 0.72 ALDH1A1 (0.53) ALDH1A1SLC6A2SLC6A3KMT2ATDP1
SCHEMBL14853737 0.71 ALDH1A1 (0.55) ALDH1A1HPGDLMNABCHEMAPT
SCHEMBL16063071 0.71 ALDH1A1 (0.55) ALDH1A1HPGDLMNABCHEMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7084125-B2 Xylo-LNA analogues EXIQON A/S (DK) 2006-08-01 — — US disclosed
US-20030082807-A1 Xylo-LNA analogues QIAGEN GMBH (DE) 2003-05-01 — — 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-20030082807-A1 Xylo-LNA analogues FBL, NSUN2, RNGTT ALDH1A1 4614/4885SLC6A2 1543/4885SLC6A3 2422/4885

“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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