SCHEMBL6270850

SCHEMBL6270850

C=COc1c(O)c2cccc(OCC(=O)O)c2oc1=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
TBXA2R P21731 12/20 0.40
PTGIR P43119 12/20 0.40
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
FHIT P49789 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
GAA P10253 1/20 0.37
MIF P14174 1/20 0.36

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
SCHEMBL6276234 0.86 ALDH1A1 (0.41) KDM4EALDH1A1HPGDTDP1TBXA2R
SCHEMBL6276229 0.86 ALDH1A1 (0.41) KDM4EALDH1A1HPGDTDP1TBXA2R
SCHEMBL6275414 0.85 IDO1 (0.36) ADORA3ADORA2AADORA1
SCHEMBL6276928 0.84 ALDH1A1 (0.40) KDM4EALDH1A1HPGDTDP1TBXA2R
SCHEMBL6276927 0.84 ALDH1A1 (0.40) KDM4EALDH1A1HPGDTDP1TBXA2R
SCHEMBL6271682 0.84 MAOA (0.48) KDM4EALDH1A1HPGDTDP1TBXA2R
SCHEMBL6272596 0.83 GLA (0.50) KDM4EALDH1A1HPGDTDP1TBXA2R
SCHEMBL6276240 0.82 NQO1 (0.41) KDM4EALDH1A1HPGDTDP1PTGDR2
SCHEMBL6270511 0.82 KDM4E (0.43) KDM4EALDH1A1HPGDTDP1TBXA2R
SCHEMBL6277151 0.81 ALDH1A1 (0.43) KDM4EALDH1A1HPGDTDP1TBXA2R

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 KDM4E 965/4885ALDH1A1 105/4885HPGD 324/4885

“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.