SCHEMBL4959928

SCHEMBL4959928

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
CASP6 P55212 1/20 0.42
MCL1 Q07820 1/20 0.37
SIRT2 Q8IXJ6 7/20 0.37
PTGS2 P35354 2/20 0.32
ERN1 O75460 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
NOTUM Q6P988 1/20 0.31
TPMT P51580 1/20 0.31
GRM4 Q14833 1/20 0.30
AKR1B1 P15121 1/20 0.30
PTGS1 P23219 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
SCHEMBL4960464 0.81 SIRT2 (0.42) MCL1SIRT2MAOAMAOB
SCHEMBL4962715 0.80 POLB (0.42) POLBCASP6PTGS2
SCHEMBL31557386 0.78 MAOB (0.41) POLBSIRT2MAOB
SCHEMBL4960223 0.75 SIRT2 (0.38) MCL1SIRT2PTGS2ERN1
SCHEMBL4960819 0.73 POLB (0.39) POLBCASP6PTGS2PTGS1
SCHEMBL4964579 0.68 MCL1 (0.38) MCL1SIRT2ERN1MAOAMAOB
SCHEMBL23910855 0.68 SMN1; SMN2 (0.40) MCL1SIRT2
SCHEMBL23910858 0.68 SMN1; SMN2 (0.40) MCL1SIRT2
SCHEMBL10399916 0.67 POLB (0.39) POLBCASP6ERN1
SCHEMBL23910714 0.66 NFKB1 (0.39) MCL1SIRT2

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 POLB 3658/4885CASP6 4849/4885MCL1 3674/4885

“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.