SCHEMBL6271376

SCHEMBL6271376

CCOc1c(O)c2cccc(OCCC(O)CO)c2oc1=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 4/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CNR2 P34972 4/20 0.36
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KMT2A Q03164 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
SCHEMBL6277742 0.90 MAOA (0.39) ADORA3KDM4EMEN1CYP1A2CYP2C19
SCHEMBL6274316 0.90 CNR2 (0.40) CNR2
SCHEMBL6270707 0.90 CNR2 (0.40) CNR2
SCHEMBL6276756 0.89 CYP1A2 (0.46) ADORA3ADORA2AADORA1KDM4EALDH1A1
SCHEMBL6274704 0.86 ADORA3 (0.45) ADORA3ADORA2AADORA1KDM4EALDH1A1
SCHEMBL6275919 0.85 CNR2 (0.32) ADORA3ADORA2AADORA1KDM4ECNR2
SCHEMBL6275923 0.85 CNR2 (0.32) ADORA3ADORA2AADORA1KDM4ECNR2
SCHEMBL6276134 0.85 ADORA3 (0.42) ADORA3ADORA2AADORA1KDM4EALDH1A1
SCHEMBL6271364 0.84 ADORA3 (0.41) ADORA3ADORA2AADORA1KDM4EALDH1A1
SCHEMBL6276932 0.83 NQO1 (0.42) ADORA3KDM4EALDH1A1MEN1KMT2A

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 ADORA3 560/4885ADORA2A 1813/4885ADORA1 362/4885

“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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