SCHEMBL6274684

SCHEMBL6274684

CCCCOc1c(O)c2cc(OCCC(=O)O)ccc2oc1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACSL1 P33121 2/20 0.50
▸ ACSL6 Q9UKU0 2/20 0.50
▸ NQO1 P15559 1/20 0.44
▸ MAP1LC3B Q9GZQ8 1/20 0.44
▸ MAP1LC3A Q9H492 1/20 0.44
▸ KDM4E B2RXH2 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ MAOA P21397 3/20 0.43
▸ MAOB P27338 3/20 0.43
▸ RAB9A P51151 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA3 P07451 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ CA6 P23280 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
SCHEMBL6277135 0.97 ACSL1 (0.52) ACSL1ACSL6NQO1MAP1LC3BMAP1LC3A
SCHEMBL6277120 0.97 ACSL1 (0.52) ACSL1ACSL6NQO1MAP1LC3BMAP1LC3A
SCHEMBL6277212 0.95 ACSL1 (0.53) ACSL1ACSL6NQO1MAP1LC3BMAP1LC3A
SCHEMBL6276243 0.94 ACSL1 (0.57) ACSL1ACSL6NQO1MAP1LC3BMAP1LC3A
SCHEMBL27563415 0.93 ACSL1 (0.58) ACSL1ACSL6NQO1MAOAMAOB
SCHEMBL6277207 0.92 ACSL1 (0.57) ACSL1ACSL6MAOAMAOBALDH2
SCHEMBL6273083 0.92 ACSL1 (0.54) ACSL1ACSL6MAOAMAOBALDH2
SCHEMBL6270759 0.92 ACSL1 (0.54) ACSL1ACSL6MAOAMAOBALDH2
SCHEMBL6275180 0.92 ACSL1 (0.57) ACSL1ACSL6MAOAMAOBALDH2
SCHEMBL6276260 0.92 ACSL1 (0.48) ACSL1ACSL6NQO1KDM4EALDH1A1

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 ACSL1 1912/4885ACSL6 2711/4885NQO1 1320/4885

“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