SCHEMBL15890505

SCHEMBL15890505

CC1(C)OCC2OC(OCc3ccccc3)C3OC(C)(C)O[C@H]3[C@@H]2O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ SIGMAR1 Q99720 3/20 0.35
▸ TMEM97 Q5BJF2 2/20 0.35
▸ MAPT P10636 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ GSTP1 P09211 2/20 0.33
▸ CTSV O60911 1/20 0.33
▸ CTSL P07711 1/20 0.33
▸ CTSB P07858 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ CTSC P53634 1/20 0.33
▸ CTSF Q9UBX1 1/20 0.33
▸ OPRM1 P35372 2/20 0.33
▸ OPRL1 P41146 2/20 0.33
▸ HRAS P01112 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 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
SCHEMBL13933149 0.91 CA1 (0.36) L3MBTL1SIGMAR1TMEM97MAPTCYP2C19
SCHEMBL10574146 0.91 CA1 (0.36) L3MBTL1SIGMAR1TMEM97MAPTCYP2C19
SCHEMBL10586638 0.91 CA1 (0.36) L3MBTL1SIGMAR1TMEM97MAPTCYP2C19
SCHEMBL30380734 0.91 CA1 (0.36) L3MBTL1SIGMAR1TMEM97MAPTCYP2C19
SCHEMBL7154934 0.85 MEN1 (0.41) L3MBTL1SIGMAR1TMEM97GSTP1
SCHEMBL6567769 0.82 L3MBTL1 (0.39) L3MBTL1SIGMAR1TMEM97GSTP1HRAS
SCHEMBL10831460 0.82 L3MBTL1 (0.39) L3MBTL1SIGMAR1TMEM97GSTP1HRAS
SCHEMBL25845030 0.79 CA1 (0.34) L3MBTL1MAPTALDH1A1CA1CA2
SCHEMBL5308210 0.78 L3MBTL1 (0.54) L3MBTL1SIGMAR1TMEM97ALDH1A1HRAS
SCHEMBL12656737 0.78 CA1 (0.37) CA1CA2CA9

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-20150191446-A1 SELENO-COMPOUNDS AND THERAPEUTIC USES THEREOF THE HEART RESEARCH INSTITUTE LTD (AU) 2015-07-09 — — US disclosed
US-20140206658-A1 SELENO-COMPOUNDS AND THERAPEUTIC USES THEREOF THE HEART RESEARCH INSTITUTE LTD. (AU) 2014-07-24 — — 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 (2 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-20150191446-A1 SELENO-COMPOUNDS AND THERAPEUTIC USES THEREOF GPX1, MPO, GPX4 L3MBTL1 3033/4885SIGMAR1 2035/4885TMEM97 3400/4885
US-20140206658-A1 SELENO-COMPOUNDS AND THERAPEUTIC USES THEREOF MPO, GPX1, GPX4 L3MBTL1 2957/4885SIGMAR1 1161/4885TMEM97 2264/4885

“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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