SCHEMBL6276979

SCHEMBL6276979

CCOc1c(O)c2c(OCCCCC(=O)O)cccc2oc1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 1/20 0.43
▸ LTB4R Q15722 1/20 0.41
▸ LTB4R2 Q9NPC1 1/20 0.41
▸ NMT2 O60551 5/20 0.40
▸ NMT1 P30419 5/20 0.40
▸ ACSL1 P33121 2/20 0.40
▸ ACSL6 Q9UKU0 2/20 0.40
▸ CREB1 P16220 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PABPC1 P11940 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CYSLTR2 Q9NS75 3/20 0.39
▸ CYSLTR1 Q9Y271 3/20 0.39
▸ ADRB2 P07550 2/20 0.39
▸ ADRB1 P08588 2/20 0.39
▸ ADRB3 P13945 2/20 0.39
▸ FABP3 P05413 1/20 0.38

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
SCHEMBL6275174 0.97 NQO1 (0.43) NQO1NMT2NMT1CREB1KDM4E
SCHEMBL6277222 0.93 NQO1 (0.44) NQO1NMT2NMT1CREB1KDM4E
SCHEMBL6275908 0.92 ALDH1A1 (0.44) NQO1LTB4RLTB4R2ACSL1ACSL6
SCHEMBL6274289 0.91 LTB4R (0.44) NQO1LTB4RLTB4R2CYSLTR2CYSLTR1
SCHEMBL6276755 0.91 LTB4R (0.44) NQO1LTB4RLTB4R2CYSLTR2CYSLTR1
SCHEMBL6276104 0.89 CYSLTR2 (0.44) NQO1LTB4RLTB4R2CYSLTR2CYSLTR1
SCHEMBL6274120 0.89 CYSLTR2 (0.44) NQO1LTB4RLTB4R2CYSLTR2CYSLTR1
SCHEMBL6274248 0.89 NQO1 (0.43) NQO1MEN1KMT2ACYSLTR2CYSLTR1
SCHEMBL6276006 0.87 NQO1 (0.45) NQO1NMT2NMT1CREB1KDM4E
SCHEMBL6272875 0.87 CYSLTR2 (0.43) NQO1LTB4RCYSLTR2CYSLTR1

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 1320/4885LTB4R 107/4885LTB4R2 142/4885

“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.

Send feedback