SCHEMBL6276715

SCHEMBL6276715

CCC=COc1c(O)c2c(OCC(=O)O)cccc2oc1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ POLB P06746 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ EDNRA P25101 1/20 0.36
▸ KDM4E B2RXH2 8/20 0.36
▸ ALDH1A1 P00352 6/20 0.36
▸ HPGD P15428 5/20 0.36
▸ HSD17B10 Q99714 5/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ GAA P10253 2/20 0.35
▸ CASP1 P29466 1/20 0.34
▸ AKR1C3 P42330 1/20 0.34
▸ AKR1C2 P52895 1/20 0.34
▸ AKR1C1 Q04828 1/20 0.34
▸ CD69 Q07108 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL6276714 1.00 NQO1 (0.41) NQO1L3MBTL1GLAPOLBSMN1; SMN2
SCHEMBL6272965 0.90 PPARA (0.39) NQO1L3MBTL1GLAPOLBSMN1; SMN2
SCHEMBL6272971 0.90 PPARA (0.39) NQO1L3MBTL1GLAPOLBSMN1; SMN2
SCHEMBL6272720 0.89 NQO1 (0.43) NQO1L3MBTL1GLAPOLBSMN1; SMN2
SCHEMBL6272721 0.89 NQO1 (0.43) NQO1L3MBTL1GLAPOLBSMN1; SMN2
SCHEMBL6270793 0.89 PPARA (0.42) NQO1L3MBTL1GLAKDM4EALDH1A1
SCHEMBL6277084 0.89 PPARA (0.42) NQO1L3MBTL1GLAKDM4EALDH1A1
SCHEMBL6270790 0.89 PPARA (0.42) NQO1L3MBTL1GLAKDM4EALDH1A1
SCHEMBL6277080 0.89 PPARA (0.42) NQO1L3MBTL1GLAKDM4EALDH1A1
SCHEMBL6276223 0.89 NQO1 (0.39) NQO1SMN1; SMN2EDNRAALDH1A1

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 NQO1 1320/4885L3MBTL1 1039/4885GLA 2030/4885

“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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