SCHEMBL6277223

SCHEMBL6277223

CCC(C)Oc1c(O)c2cccc(OCCO)c2oc1=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.39
ADORA3 P0DMS8 5/20 0.37
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37
IDO1 P14902 1/20 0.34
ANTXR2 P58335 1/20 0.33
MAOA P21397 1/20 0.33
CYP2A6 P11509 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 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
SCHEMBL6273110 0.94 CNR2 (0.39) CNR2ADORA3ADORA2AADORA1ANTXR2
SCHEMBL6276233 0.90 CNR2 (0.38) CNR2ADORA3ADORA2AADORA1IDO1
SCHEMBL6277737 0.86 CNR2 (0.39) CNR2ADORA3ADORA2AADORA1IDO1
SCHEMBL6277696 0.86 ALDH1A1 (0.40) ADORA3ADORA2AADORA1
SCHEMBL6274704 0.85 ADORA3 (0.45) CNR2ADORA3ADORA2AADORA1IDO1
SCHEMBL6276743 0.84 CNR2 (0.41) CNR2ADORA3ADORA2AADORA1CYP2A6
SCHEMBL6274721 0.84 CNR2 (0.39) CNR2ADORA3ADORA2AADORA1IDO1
SCHEMBL6275949 0.84 CYP2A6 (0.43) CNR2ADORA3ADORA2AADORA1IDO1
SCHEMBL6270761 0.83 MAOA (0.44) ADORA3ADORA2AADORA1IDO1ANTXR2
SCHEMBL6276067 0.83 CNR2 (0.40) CNR2ADORA3ADORA2AADORA1

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 CNR2 249/4885ADORA3 560/4885ADORA2A 1813/4885

“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.