SCHEMBL6907805

SCHEMBL6907805

O=c1cc(C(Br)(Br)Br)oc(C(Br)(Br)Br)c1

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.39

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
SCHEMBL6908508 0.74 NQO1 (0.38) NQO1
SCHEMBL6906880 0.74 ADCY1 (0.42) NQO1
SCHEMBL6908493 0.74 MAPT (0.39) NQO1
SCHEMBL6908137 0.70 NQO1 (0.35) NQO1
SCHEMBL6570286 0.57 NQO1 (0.38) NQO1
SCHEMBL6903133 0.57 NQO1 (0.38) NQO1
SCHEMBL21901185 0.56
Hydrochloric Acid SCHEMBL10821353 0.55 NQO1 (0.94) NQO1
SCHEMBL31265945 0.53 NQO1 (0.46) NQO1
SCHEMBL31415082 0.51 NQO1 (0.43) NQO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6716999-B2 REACTING 4-HALOACETOACETYL HALIDE IN A SOLVENT AND SCANDIUM TRIFLUOROMETHANESULFONATE (A LEWIS ACID) AND THEN HYDROLYZED TO FORM PYRONE DERIVATIVE LONZA AG (CH) 2004-04-06 US disclosed
US-20030013896-A1 Pyrone derivatives and method for producing same LONZA AG (CH) 2003-01-16 US disclosed
EP-1235821-A2 PYRONE DERIVATIVES AND A METHOD FOR PRODUCING SAME Lonza AG (CH) 2002-09-04 EP disclosed
WO-2001040212-A2 PYRONE DERIVATIVES AND A METHOD FOR PRODUCING SAME LONZA AG (CH) 2001-06-07 WO 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-20030013896-A1 Pyrone derivatives and method for producing same XDH, AMY1A, CA1 NQO1 508/4885

“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.