SCHEMBL13933149

SCHEMBL13933149

CC1(C)OCC([C@H]2O[C@H](OCc3ccccc3)C3OC(C)(C)O[C@@H]32)O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ SIGMAR1 Q99720 3/20 0.34
▸ TMEM97 Q5BJF2 2/20 0.34
▸ MAPT P10636 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ELANE P08246 3/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GSTP1 P09211 2/20 0.32
▸ CTSV O60911 1/20 0.32
▸ CTSL P07711 1/20 0.32
▸ CTSB P07858 1/20 0.32
▸ CTSS P25774 1/20 0.32
▸ CTSK P43235 1/20 0.32
▸ CTSC P53634 1/20 0.32
▸ CTSF Q9UBX1 1/20 0.32
▸ OPRM1 P35372 2/20 0.32
▸ OPRL1 P41146 2/20 0.32

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
SCHEMBL10574146 1.00 CA1 (0.36) CA1CA2CA9L3MBTL1SIGMAR1
SCHEMBL30380734 1.00 CA1 (0.36) CA1CA2CA9L3MBTL1SIGMAR1
SCHEMBL10586638 1.00 CA1 (0.36) CA1CA2CA9L3MBTL1SIGMAR1
SCHEMBL15890505 0.91 L3MBTL1 (0.40) CA1CA2CA9L3MBTL1SIGMAR1
SCHEMBL25845030 0.87 CA1 (0.34) CA1CA2CA9L3MBTL1MAPT
SCHEMBL9298281 0.86 PTAFR (0.38) CA1CA2CA9SIGMAR1TMEM97
SCHEMBL13953444 0.84 MEN1 (0.39) L3MBTL1SIGMAR1TMEM97GSTP1
SCHEMBL8720842 0.84 MEN1 (0.39) L3MBTL1SIGMAR1TMEM97GSTP1
SCHEMBL6269456 0.81 CYP3A4 (0.42) L3MBTL1CYP2C19ALDH1A1
SCHEMBL23989231 0.81 CA1 (0.53) CA1CA2CA9L3MBTL1SIGMAR1

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 CA1 2519/4885CA2 3354/4885CA9 999/4885

“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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