SCHEMBL5398907

SCHEMBL5398907

O=c1cc(-c2cccc3ccccc23)c2ccccc2o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 1/20 0.53
▸ CA12 O43570 5/20 0.51
▸ CA9 Q16790 5/20 0.51
▸ CA1 P00915 2/20 0.51
▸ ALDH1A1 P00352 3/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ MAOA P21397 3/20 0.49
▸ MAOB P27338 2/20 0.49
▸ TDP1 Q9NUW8 4/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ LMNA P02545 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CA2 P00918 1/20 0.44
▸ CA3 P07451 1/20 0.44
▸ CA4 P22748 1/20 0.44
▸ CA6 P23280 1/20 0.44
▸ CA5A P35218 1/20 0.44
▸ CA7 P43166 1/20 0.44

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
SCHEMBL5396825 0.87 NQO1 (0.67) NQO1CA12CA9CA1ALDH1A1
SCHEMBL11476090 0.85 CA12 (0.68) CA12CA9ALDH1A1KDM4EHPGD
SCHEMBL20154078 0.83 CA12 (0.50) NQO1CA12CA9CA1ALDH1A1
SCHEMBL14424514 0.81 NQO1 (0.47) NQO1CA12CA9CA1ALDH1A1
SCHEMBL28227416 0.79 CA12 (0.70) NQO1CA12CA9CA1ALDH1A1
SCHEMBL5691199 0.79 KCNA3 (0.62) NQO1CA12CA9CA1ALDH1A1
SCHEMBL28143420 0.79 CA12 (0.66) NQO1CA12CA9CA1ALDH1A1
SCHEMBL30228412 0.79 KCNA3 (0.62) NQO1CA12CA9CA1ALDH1A1
SCHEMBL28053827 0.79 NQO1 (0.53) NQO1CA12CA9CA1ALDH1A1
SCHEMBL28843363 0.79 KDM4E (0.62) NQO1CA12CA9CA1ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118812473-A Naphthyl-coumarin molecular probe and synthetic method and application thereof 达州中医药职业学院 2024-10-22 — — CN disclosed
US-7259265-B2 Coumarin compounds and method for preparing and using the same SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2007-08-21 — — US disclosed
US-7259265-B2 Coumarin compounds and method for preparing and using the same SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2007-08-21 — — US disclosed
US-20060063806-A1 Coumarin compounds and method for preparing and using the same SHANGHAI INSTITUTE OF ORGANIC CHEMESTRY CHINESE ACADEMY OF SCIENCE (CN) 2006-03-23 — — US disclosed
EP-1634878-A1 COUMARINS COMPOUNDS, THE PREPARATION AND THE USE THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2006-03-15 — — 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-20060063806-A1 Coumarin compounds and method for preparing and using the same CBR3, AOC3, AOC2 NQO1 147/4885CA12 1628/4885CA9 539/4885

“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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