SCHEMBL6272764

SCHEMBL6272764

CC/C=C/Oc1c(O)c2c(OCCCCO)cccc2oc1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 1/20 0.40
▸ NMT2 O60551 7/20 0.36
▸ NMT1 P30419 7/20 0.36
▸ ADRB2 P07550 2/20 0.35
▸ ADRB1 P08588 2/20 0.35
▸ ADRB3 P13945 2/20 0.35
▸ CYP2A6 P11509 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PABPC1 P11940 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ KCNA3 P22001 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ HPGD P15428 1/20 0.32

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
SCHEMBL6272765 1.00 NQO1 (0.40) NQO1NMT2NMT1ADRB2ADRB1
SCHEMBL6272053 0.94 NQO1 (0.42) NQO1NMT2NMT1ADRB2ADRB1
SCHEMBL6272056 0.94 NQO1 (0.42) NQO1NMT2NMT1ADRB2ADRB1
SCHEMBL6276223 0.88 NQO1 (0.39) NQO1NMT2NMT1ADRB2ADRB1
SCHEMBL6276225 0.88 NQO1 (0.39) NQO1NMT2NMT1ADRB2ADRB1
SCHEMBL6277171 0.86 NQO1 (0.38) NQO1ALOX5
SCHEMBL6277169 0.86 NQO1 (0.38) NQO1ALOX5
SCHEMBL6276208 0.86 NQO1 (0.43) NQO1NMT2NMT1ADRB2ADRB1
SCHEMBL6276215 0.86 NQO1 (0.43) NQO1NMT2NMT1ADRB2ADRB1
SCHEMBL6277094 0.85 NQO1 (0.39) NQO1CYP2A6ALOX5

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 1320/4885NMT2 4292/4885NMT1 3133/4885

“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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