SCHEMBL6277094

SCHEMBL6277094

CCCCC=COc1c(O)c2c(OCCO)cccc2oc1=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 1/20 0.39
▸ CYP2A6 P11509 1/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ CDC25A P30304 1/20 0.34
▸ CDC25B P30305 1/20 0.34
▸ CDC25C P30307 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ CREB1 P16220 1/20 0.34
▸ CNR2 P34972 1/20 0.34

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
SCHEMBL6277091 1.00 NQO1 (0.39) NQO1CYP2A6ALOX5CDC25ACDC25B
SCHEMBL6272736 0.96 NQO1 (0.38) NQO1ALOX5
SCHEMBL6272732 0.96 NQO1 (0.38) NQO1ALOX5
SCHEMBL6277178 0.96 NQO1 (0.38) NQO1ALOX5
SCHEMBL6277183 0.96 NQO1 (0.38) NQO1ALOX5
SCHEMBL6277169 0.92 NQO1 (0.38) NQO1ALOX5
SCHEMBL6277171 0.92 NQO1 (0.38) NQO1ALOX5
SCHEMBL6272053 0.89 NQO1 (0.42) NQO1CYP2A6CREB1
SCHEMBL6272056 0.89 NQO1 (0.42) NQO1CYP2A6CREB1
SCHEMBL6272965 0.87 PPARA (0.39) NQO1PTGS2

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
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

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 1320/4885CYP2A6 117/4885ALOX5 311/4885

“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.

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