SCHEMBL6276063

SCHEMBL6276063

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.55
▸ AKR1C2 P52895 1/20 0.55
▸ AKR1C1 Q04828 1/20 0.55
▸ ALDH1A1 P00352 14/20 0.52
▸ KDM4E B2RXH2 11/20 0.52
▸ HPGD P15428 9/20 0.52
▸ MAPT P10636 3/20 0.52
▸ GAA P10253 2/20 0.52
▸ RAB9A P51151 6/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ KMT2A Q03164 5/20 0.48
▸ MTNR1A P48039 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ AGER Q15109 1/20 0.47
▸ HSD17B10 Q99714 4/20 0.46
▸ NPC1 O15118 4/20 0.46
▸ STAT1 P42224 1/20 0.46
▸ MEN1 O00255 3/20 0.46

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
SCHEMBL6277196 0.91 ALDH1A1 (0.52) AKR1C3AKR1C2AKR1C1ALDH1A1KDM4E
SCHEMBL6272555 0.91 MAOB (0.54) AKR1C3AKR1C2AKR1C1ALDH1A1KDM4E
SCHEMBL6272547 0.91 MAOB (0.54) AKR1C3AKR1C2AKR1C1ALDH1A1KDM4E
SCHEMBL6276774 0.89 ALDH1A1 (0.49) AKR1C3AKR1C2AKR1C1ALDH1A1KDM4E
SCHEMBL8490315 0.86 NQO1 (0.58) ALDH1A1KDM4EHPGDMAPTGAA
SCHEMBL6276971 0.86 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDMAPTGAA
SCHEMBL6275947 0.85 AKR1C3 (0.60) AKR1C3AKR1C2AKR1C1ALDH1A1KDM4E
SCHEMBL6276298 0.84 AKR1C3 (0.62) AKR1C3AKR1C2AKR1C1ALDH1A1KDM4E
SCHEMBL6277209 0.84 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDMAPTGAA
SCHEMBL8485568 0.83 ALDH1A1 (0.53) AKR1C3AKR1C2AKR1C1ALDH1A1KDM4E

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 AKR1C3 459/4885AKR1C2 642/4885AKR1C1 457/4885

“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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