SCHEMBL16226906

SCHEMBL16226906

O=Cc1c(O)cc2c(c1O)C(=O)c1cccc(O)c1C2=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 4/20 0.59
▸ MAPT P10636 6/20 0.53
▸ ALDH1A1 P00352 5/20 0.53
▸ TSHR P16473 3/20 0.53
▸ TDP1 Q9NUW8 3/20 0.53
▸ MAPK1 P28482 3/20 0.53
▸ HPGD P15428 3/20 0.53
▸ ALOX15 P16050 3/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ HSD17B10 Q99714 3/20 0.53
▸ LMNA P02545 2/20 0.53
▸ MAOB P27338 2/20 0.53
▸ HTT P42858 1/20 0.53
▸ THRB P10828 2/20 0.52
▸ LCK P06239 1/20 0.52
▸ GLA P06280 1/20 0.52
▸ LIMK1 P53667 1/20 0.52
▸ LIMK2 P53671 1/20 0.52
▸ STAT3 P40763 3/20 0.51
▸ BCL2 P10415 2/20 0.50

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
SCHEMBL23199059 0.95 ALDH1A1 (0.61) MAOAMAPTALDH1A1TSHRTDP1
SCHEMBL16227182 0.87 BCL2 (0.67) MAOAMAPTALDH1A1TDP1MAPK1
SCHEMBL30407933 0.87 BCL2 (0.67) MAOAMAPTALDH1A1TDP1MAPK1
SCHEMBL3182318 0.82 BCL2 (0.73) MAOAMAPTALDH1A1TSHRTDP1
SCHEMBL16226525 0.81 ALDH1A1 (0.80) MAOAMAPTALDH1A1TSHRTDP1
SCHEMBL28690510 0.78 MAOA (0.63) MAOAMAPTALDH1A1TSHRTDP1
Anthrarufin SCHEMBL187843 0.77 MAOA (1.00) MAOAMAPTALDH1A1TSHRTDP1
Anthrarufin SCHEMBL29363946 0.77 MAOA (1.00) MAOAMAPTALDH1A1TSHRTDP1
Anthrarufin SCHEMBL29874705 0.77 MAOA (1.00) MAOAMAPTALDH1A1TSHRTDP1
SCHEMBL3181589 0.76 MAOA (0.79) MAOAMAPTALDH1A1TSHRTDP1

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 MAOA 1208/4885MAPT 3619/4885ALDH1A1 1004/4885

“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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