SCHEMBL6276774

SCHEMBL6276774

CC(C)=CCOc1c(O)c2ccc(OCCCC(=O)O)cc2oc1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ HPGD P15428 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ MAOA P21397 8/20 0.47
▸ MAOB P27338 8/20 0.47
▸ ALDH2 P05091 8/20 0.47
▸ MTNR1A P48039 1/20 0.45
▸ LMNA P02545 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ CYP1B1 Q16678 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ AKR1C3 P42330 1/20 0.42
▸ AKR1C2 P52895 1/20 0.42
▸ AKR1C1 Q04828 1/20 0.42
▸ ACSL1 P33121 1/20 0.41

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
SCHEMBL6274711 0.92 ACSL1 (0.48) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL6276063 0.89 AKR1C3 (0.55) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL6277209 0.88 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL6274714 0.88 MAOB (0.53) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL6274707 0.88 MAOB (0.53) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL6276971 0.87 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL8486017 0.87 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL6270593 0.86 ALDH2 (0.51) ALDH1A1KDM4EHPGDGAAMAOA
SCHEMBL6276032 0.86 MAOA (0.51) ALDH1A1KDM4EHPGDMAPTMAOA
SCHEMBL8490315 0.84 NQO1 (0.58) ALDH1A1KDM4EHPGDGAAMAPT

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 ALDH1A1 105/4885KDM4E 965/4885HPGD 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.

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