SCHEMBL6276172

SCHEMBL6276172

COc1ccc2c(O)c(O)c(=O)oc2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 3/20 0.73
KDM4E B2RXH2 10/20 0.66
ALDH1A1 P00352 9/20 0.66
MAPT P10636 6/20 0.66
NPC1 O15118 2/20 0.66
RAB9A P51151 2/20 0.66
POLB P06746 1/20 0.66
STAT1 P42224 1/20 0.66
LMNA P02545 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
HPGD P15428 5/20 0.59
HSD17B10 Q99714 4/20 0.59
GAA P10253 1/20 0.59
MEN1 O00255 2/20 0.58
TP53 P04637 2/20 0.58
CYP3A4 P08684 2/20 0.58
KMT2A Q03164 2/20 0.58
CASP1 P29466 1/20 0.58
CASP7 P55210 1/20 0.58
CYP2D6 P10635 1/20 0.55

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
SCHEMBL38652222 0.87 NQO1 (0.69) NQO1KDM4EALDH1A1MAPTNPC1
SCHEMBL8085834 0.87 NQO1 (0.65) NQO1KDM4EALDH1A1MAPTNPC1
SCHEMBL8087605 0.87 NQO1 (0.69) NQO1KDM4EALDH1A1MAPTNPC1
SCHEMBL6930886 0.87 NQO1 (0.73) NQO1KDM4EALDH1A1MAPTNPC1
SCHEMBL12920462 0.86 NQO1 (0.68) NQO1KDM4EALDH1A1MAPTNPC1
SCHEMBL28510435 0.83 NQO1 (0.82) NQO1KDM4EALDH1A1MAPTNPC1
SCHEMBL28497661 0.83 NQO1 (0.65) NQO1KDM4EALDH1A1MAPTNPC1
SCHEMBL5426832 0.83 MAOB (0.75) NQO1KDM4EALDH1A1MAPTNPC1
SCHEMBL8494108 0.83 NQO1 (0.52) NQO1KDM4EALDH1A1MAPTNPC1
SCHEMBL8495386 0.83 KDM4E (0.61) NQO1KDM4EALDH1A1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1273578-B1 Benzopyran derivatives and antiallergic agent containing the same DAINIPPON INK & CHEMICALS (JP) 2005-02-23 EP disclosed
US-6670391-B2 For inhibiting both immediate and delayed type allergic reactions; side effect reduction DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-12-30 US disclosed
US-20030096860-A1 Benzopyran derivative and antiallergic agent DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-05-22 US disclosed
EP-1273578-A1 Benzopyran derivatives and antiallergic agent containing the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-01-08 EP disclosed
EP-0598117-B1 BENZOPYRAN DERIVATIVE AND ANTIALLERGIC AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT DAINIPPON INK & CHEMICALS (JP) 1999-06-30 EP disclosed
US-5428059-A Benzopyran derivatives and an anti-allergic agent possessing the same as the active ingredient DAINIPPON INK & CHEMICALS, INC. (JP) 1995-06-27 US disclosed
EP-0598117-A1 BENZOPYRAN DERIVATIVE AND ANTIALLERGIC AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT DAINIPPON INK AND CHEMICALS, INC. (JP) 1994-05-25 EP 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-20030096860-A1 Benzopyran derivative and antiallergic agent HRH2, HRH1, HRH4 NQO1 1320/4885KDM4E 965/4885ALDH1A1 105/4885

“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.