SCHEMBL13953444

SCHEMBL13953444

CC1(C)OCC([C@H]2O[C@H](OCc3ccccc3)C(O)C2O)O1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ TMEM97 Q5BJF2 2/20 0.36
▸ SIGMAR1 Q99720 2/20 0.36
▸ SLC6A2 P23975 2/20 0.36
▸ SLC5A2 P31639 1/20 0.36
▸ TACR1 P25103 1/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ GSTP1 P09211 2/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ PDE4D Q08499 1/20 0.33

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
SCHEMBL8720842 1.00 MEN1 (0.39) MEN1KMT2AL3MBTL1TMEM97SIGMAR1
SCHEMBL7154934 0.91 MEN1 (0.41) MEN1KMT2AL3MBTL1TMEM97SIGMAR1
SCHEMBL11281689 0.85 L3MBTL1 (0.50) KMT2AL3MBTL1TMEM97SIGMAR1
SCHEMBL30380734 0.84 CA1 (0.36) L3MBTL1TMEM97SIGMAR1GSTP1
SCHEMBL13933149 0.84 CA1 (0.36) L3MBTL1TMEM97SIGMAR1GSTP1
SCHEMBL10586638 0.84 CA1 (0.36) L3MBTL1TMEM97SIGMAR1GSTP1
SCHEMBL10574146 0.84 CA1 (0.36) L3MBTL1TMEM97SIGMAR1GSTP1
SCHEMBL6567769 0.81 L3MBTL1 (0.39) MEN1KMT2AL3MBTL1TMEM97SIGMAR1
SCHEMBL10831460 0.81 L3MBTL1 (0.39) MEN1KMT2AL3MBTL1TMEM97SIGMAR1
SCHEMBL7152906 0.80 SSTR1 (0.42) L3MBTL1

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-20090036659-A1 METHOD OF DEUTERATING BENZYL-POSITION IN -O-BENZYL GROUP WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2009-02-05 — — 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-20090036659-A1 METHOD OF DEUTERATING BENZYL-POSITION IN -O-BENZYL GROUP DBH, BRD4, BRD3 MEN1 1558/4885KMT2A 747/4885L3MBTL1 448/4885

“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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