SCHEMBL4960464

SCHEMBL4960464

COC(=O)C1Oc2cc(Cl)cc(Br)c2O1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 6/20 0.42
ALDH1A1 P00352 1/20 0.33
MAOB P27338 2/20 0.31
MAOA P21397 1/20 0.31
MCL1 Q07820 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
SCHEMBL31557386 0.85 MAOB (0.41) SIRT2MAOB
SCHEMBL4960886 0.82 P2RY6 (0.32) SIRT2ALDH1A1
SCHEMBL4959928 0.81 POLB (0.42) SIRT2MAOBMAOAMCL1
SCHEMBL8228251 0.77 HTT (0.33) ALDH1A1
SCHEMBL4960223 0.70 SIRT2 (0.38) SIRT2MCL1
SCHEMBL4961634 0.70 AQP1 (0.46) ALDH1A1
SCHEMBL23921839 0.70 SIRT2 (0.41) SIRT2ALDH1A1
SCHEMBL30989318 0.69 AHR (0.38) ALDH1A1MAOB
SCHEMBL23921841 0.69 SIRT2 (0.63) SIRT2ALDH1A1
SCHEMBL23921840 0.68 SIRT2 (0.50) SIRT2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871759-A1 BENZODIOXANE AND BENZODIOXOLANE DERIVATIVES AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-01-02 EP disclosed
WO-2006116158-A1 BENZODIOXANE AND BENZODIOXOLANE DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 WO disclosed
US-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2006-10-26 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-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof HTR2C, HTR1D, HTR1A SIRT2 2238/4885ALDH1A1 814/4885MAOB 63/4885

“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.