SCHEMBL6276783

SCHEMBL6276783

CC(C)CCCOc1c(O)c2cccc(OCCO)c2oc1=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.39
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
ADORA3 P0DMS8 3/20 0.34
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
IDO1 P14902 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
PPIA P62937 1/20 0.34
HTT P42858 1/20 0.33

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
SCHEMBL6274721 0.90 CNR2 (0.39) CNR2ADORA3ADORA2AADORA1IDO1
SCHEMBL6270768 0.87 CNR2 (0.47) CNR2ADORA3ADORA2AADORA1HTT
SCHEMBL6276655 0.87 CNR2 (0.40) CNR2NFKB1NFKB2RELALOXL2
SCHEMBL6270575 0.86 CNR2 (0.43) CNR2ADORA3ADORA2AADORA1HTT
SCHEMBL6275949 0.86 CYP2A6 (0.43) CNR2ADORA3ADORA2AADORA1IDO1
SCHEMBL6277139 0.85 CNR2 (0.43) CNR2
SCHEMBL6276238 0.85 CNR2 (0.43) CNR2
SCHEMBL6275622 0.85 CNR2 (0.43) CNR2
SCHEMBL6276043 0.85 CNR2 (0.43) CNR2
SCHEMBL6276233 0.85 CNR2 (0.38) CNR2ADORA3ADORA2AADORA1IDO1

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 249/4885NFKB1 1055/4885NFKB2 974/4885

“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.