SCHEMBL4960223

SCHEMBL4960223

OCC1Oc2cc(Cl)cc(Br)c2O1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 9/20 0.38
ERN1 O75460 1/20 0.33
MCL1 Q07820 1/20 0.32
PTGS2 P35354 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
SCHEMBL4960494 0.79 P2RY6 (0.38)
SCHEMBL4959928 0.75 POLB (0.42) SIRT2ERN1MCL1PTGS2
SCHEMBL28719850 0.74 HTR1A (0.43) SIRT2
SCHEMBL28716699 0.74 HTR1A (0.43) SIRT2
SCHEMBL29444732 0.74 HTR1A (0.43) SIRT2
SCHEMBL31557386 0.70 MAOB (0.41) SIRT2
SCHEMBL4960464 0.70 SIRT2 (0.42) SIRT2MCL1
SCHEMBL4959882 0.68 ALDH1A1 (0.39) SIRT2
SCHEMBL23911294 0.67 SIRT2 (0.45) SIRT2
SCHEMBL5805008 0.67 SIRT2 (0.45) SIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101218223-A Benzodioxane and benzodioxolane derivatives and uses thereof WYETH CORP (US) 2008-07-09 CN disclosed
EP-1896451-A2 BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Incorporated (US) 2008-03-12 EP disclosed
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-2006129168-A2 BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PRODUCTS INC. (US) 2006-12-07 WO 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 2238/4885ERN1 4305/4885MCL1 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.