SCHEMBL4964579

SCHEMBL4964579

O=C(O)C1(C(=O)O)Oc2cc(Cl)cc(Br)c2O1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.38
ERN1 O75460 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
TPMT P51580 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.30

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
SCHEMBL4961134 0.81 MAOB (0.41) MAOBSIRT2
SCHEMBL4959854 0.79 GPR17 (0.32)
SCHEMBL8387152 0.73 TSHR (0.43) SIRT2
SCHEMBL8229101 0.71 ALDH1A1 (0.33)
SCHEMBL4959928 0.68 POLB (0.42) MCL1ERN1MAOAMAOBTPMT
SCHEMBL23910646 0.67 FFAR4 (0.35) MCL1SIRT2
SCHEMBL20264744 0.65 NPC1 (0.38) MCL1MAOAMAOBSIRT2
SCHEMBL29334183 0.64 MCL1 (0.37) MCL1SIRT2
SCHEMBL27186159 0.62 MCL1 (0.48) MCL1ERN1MAOAMAOBTPMT
SCHEMBL4960223 0.62 SIRT2 (0.38) MCL1ERN1SIRT2

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 MCL1 3674/4885ERN1 4305/4885MAOA 86/4885

“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.