SCHEMBL13448900

SCHEMBL13448900

CC[C@H]1OC(OCCO)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ CA2 P00918 1/20 0.36
▸ OGA O60502 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ NR3C1 P04150 1/20 0.32
▸ FYN P06241 1/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ ADRA2B P18089 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ PRKCA P17252 2/20 0.31
▸ PRKD3 O94806 1/20 0.31
▸ PRKCG P05129 1/20 0.31
▸ PRKCB P05771 1/20 0.31
▸ PRKCH P24723 1/20 0.31
▸ PRKCE Q02156 1/20 0.31
▸ PRKCQ Q04759 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
SCHEMBL13448880 1.00 CYP2D6 (0.37) CYP2D6THRBHSD17B10CA2OGA
SCHEMBL13964921 1.00 CYP2D6 (0.37) CYP2D6THRBHSD17B10CA2OGA
SCHEMBL13448890 0.92 CYP2D6 (0.36) CYP2D6THRBHSD17B10CA2NR3C1
SCHEMBL13964914 0.92 CYP2D6 (0.36) CYP2D6THRBHSD17B10CA2NR3C1
SCHEMBL13964922 0.92 CYP2D6 (0.36) CYP2D6THRBHSD17B10CA2OGA
SCHEMBL13448901 0.92 CYP2D6 (0.36) CYP2D6THRBHSD17B10CA2OGA
SCHEMBL13448882 0.92 CYP2D6 (0.36) CYP2D6THRBHSD17B10CA2OGA
SCHEMBL19239884 0.91 CYP2D6 (0.35) CYP2D6THRBHSD17B10CA2MAPK1
SCHEMBL13448889 0.90 CYP2D6 (0.38) CYP2D6THRBHSD17B10CA2OGA
SCHEMBL16387023 0.87 CA2 (0.37) CYP2D6THRBHSD17B10CA2OGA

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-9023813-B2 Synthesis and use of glycoside derivatives of propofol NuTek Pharma Ltd. (US) 2015-05-05 — — US disclosed
US-20120264702-A1 Synthesis And Use Of Glycoside Derivatives of Propofol NuTek Pharma Ltd. 2012-10-18 — — 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-20120264702-A1 Synthesis And Use Of Glycoside Derivatives of Propofol CYP3A5, CYP3A4, UGT1A4 CYP2D6 10/4885THRB 2227/4885HSD17B10 1340/4885

“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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