SCHEMBL6274541

SCHEMBL6274541

CCCC(C)COc1c(O)c2cc(OCCO)ccc2oc1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 2/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
MAP1LC3B Q9GZQ8 1/20 0.38
MAP1LC3A Q9H492 1/20 0.38
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MAOB P27338 3/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPK1 P28482 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
MAOA P21397 2/20 0.36
ALDH2 P05091 2/20 0.36
RAB9A P51151 2/20 0.35

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
SCHEMBL6274712 0.95 NQO1 (0.41) NQO1CA12CA1CA9MAP1LC3B
SCHEMBL6270779 0.92 MAP1LC3B (0.43) NQO1CA12CA1CA9MAP1LC3B
SCHEMBL6275587 0.87 MAP1LC3B (0.45) NQO1MAP1LC3BMAP1LC3AMAPTMAOB
SCHEMBL6272870 0.87 KDM4E (0.49) NQO1MAPTTP53KDM4EALDH1A1
SCHEMBL6276953 0.86 NQO1 (0.47) NQO1CA12CA1CA9MAP1LC3B
SCHEMBL6272587 0.86 NQO1 (0.47) NQO1CA12CA1CA9MAP1LC3B
SCHEMBL6273114 0.84 NQO1 (0.48) NQO1CA12CA1CA9MAPT
SCHEMBL27582339 0.84 NQO1 (0.50) NQO1CA12CA1CA9MAPT
SCHEMBL6277892 0.84 NQO1 (0.44) NQO1CA12CA1CA9MAOB
SCHEMBL6274680 0.84 ALDH2 (0.47) NQO1CA12CA1CA9MAP1LC3B

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 1320/4885CA12 2503/4885CA1 1376/4885

“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.