SCHEMBL5607337

SCHEMBL5607337

CCOC(=O)[C@@H](O)C1CCCCC1=O

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.65
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 8/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A3 Q01959 3/20 0.38
SLC6A4 P31645 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.38
GAA P10253 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
POLB P06746 2/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL5607333 1.00 CYP2D6 (0.65) CYP2D6KDM4EALDH1A1SLC6A2SLC6A3
SCHEMBL5096916 1.00 CYP2D6 (0.65) CYP2D6KDM4EALDH1A1SLC6A2SLC6A3
SCHEMBL13465759 0.84 CYP2D6 (0.65) CYP2D6ALDH1A1SLC6A2SLC6A3SLC6A4
SCHEMBL6286943 0.83 CYP2D6 (0.49) CYP2D6KDM4EALDH1A1SLC6A3KMT2A
SCHEMBL19336887 0.83 CYP2D6 (0.63) CYP2D6ALDH1A1SLC6A2SLC6A3SLC6A4
SCHEMBL7886071 0.83 CYP2D6 (0.63) CYP2D6ALDH1A1SLC6A2SLC6A3SLC6A4
SCHEMBL11265163 0.81 CYP2D6 (0.62) CYP2D6KDM4EALDH1A1SLC6A2SLC6A3
SCHEMBL6686361 0.80 CYP2D6 (0.44) CYP2D6KDM4EALDH1A1KMT2AGAA
SCHEMBL17782589 0.80 CYP2D6 (0.60) CYP2D6KDM4EALDH1A1SLC6A2SLC6A3
SCHEMBL13465762 0.79 CYP2D6 (0.71) CYP2D6KDM4EALDH1A1SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7414145-B2 Method of enantioselective nucleophilic addition reaction of enamide to carbonyl group and synthesis method of optically active α-hydroxy-γ-keto acid ester and hydroxydiketone JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2008-08-19 US disclosed
US-7414145-B2 Method of enantioselective nucleophilic addition reaction of enamide to carbonyl group and synthesis method of optically active α-hydroxy-γ-keto acid ester and hydroxydiketone JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2008-08-19 US disclosed
US-20070073087-A1 Method of enantioselective nucleophilic addition reaction of enamide to carbonyl group and synthesis method of optically active alpha-hydroxy-y-keto acid ester and hydroxydiketone JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2007-03-29 US disclosed
US-20070073087-A1 Method of enantioselective nucleophilic addition reaction of enamide to carbonyl group and synthesis method of optically active alpha-hydroxy-y-keto acid ester and hydroxydiketone JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2007-03-29 US disclosed
US-20070073087-A1 Method of enantioselective nucleophilic addition reaction of enamide to carbonyl group and synthesis method of optically active alpha-hydroxy-y-keto acid ester and hydroxydiketone JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2007-03-29 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-20070073087-A1 Method of enantioselective nucleophilic addition reaction of enamide to carbonyl group and synthesis method of optically active alpha-hydroxy-y-keto acid ester and hydroxydiketone HACL2, NAA15, HRH1 CYP2D6 1306/4885KDM4E 1910/4885ALDH1A1 584/4885

“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.