SCHEMBL16226525

SCHEMBL16226525

COc1c(C=O)c(O)cc2c1C(=O)c1cccc(O)c1C2=O

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.80
▸ MAPT P10636 3/20 0.80
▸ LCK P06239 1/20 0.80
▸ GLA P06280 1/20 0.80
▸ THRB P10828 1/20 0.80
▸ LIMK1 P53667 1/20 0.80
▸ LIMK2 P53671 1/20 0.80
▸ MAOA P21397 2/20 0.51
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ SLC37A4 O43826 3/20 0.47
▸ TSHR P16473 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ ELANE P08246 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ BRCA1 P38398 1/20 0.47
▸ RECQL P46063 1/20 0.47

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
Damnacanthal SCHEMBL29356591 0.89 MAPT (1.00) ALDH1A1MAPTLCKGLATHRB
Damnacanthal SCHEMBL147246 0.89 MAPT (1.00) ALDH1A1MAPTLCKGLATHRB
SCHEMBL16226906 0.81 MAOA (0.59) ALDH1A1MAPTLCKGLATHRB
SCHEMBL19462002 0.79 MAOA (0.66) ALDH1A1MAPTLCKGLATHRB
Juzunol SCHEMBL16226815 0.78 MAOA (0.51) ALDH1A1MAPTLCKGLATHRB
SCHEMBL23199059 0.77 ALDH1A1 (0.61) ALDH1A1MAPTLCKGLATHRB
SCHEMBL19462005 0.75 MAOA (0.67) ALDH1A1MAPTTHRBMAOAMEN1
SCHEMBL3257870 0.75 EPHX2 (0.62) ALDH1A1MAPTLCKGLATHRB
SCHEMBL16226078 0.74 MAOA (0.46) ALDH1A1MAPTLCKGLATHRB
SCHEMBL22394347 0.74 PIM1 (0.63) ALDH1A1MAPTTHRBMAOAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER THE GENERAL HOSPITAL CORPORATION (US) 2014-11-13 — — US 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-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER IL2RA, CD74, IL2 ALDH1A1 1004/4885MAPT 3619/4885LCK 548/4885

“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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