SCHEMBL20350031

SCHEMBL20350031

COc1cccc2c(=O)c3ccc4cc5c(cc4c3oc12)OCO5

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 8/20 0.52
▸ ALDH1A1 P00352 4/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ MAPT P10636 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ BCHE P06276 2/20 0.43
▸ ACHE P22303 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ATP2A1 O14983 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ TP53 P04637 1/20 0.43

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
SCHEMBL20349999 0.86 MAOA (0.55) MAOAALDH1A1NPC1RAB9ALMNA
SCHEMBL20350033 0.86 MAOA (0.54) MAOAALDH1A1NPC1RAB9ALMNA
SCHEMBL20346753 0.84 POLB (0.45) ALDH1A1NPC1RAB9ALMNAKDM4E
SCHEMBL20346762 0.81 NPC1 (0.41) ALDH1A1NPC1RAB9AKDM4EMAPT
SCHEMBL28398726 0.79 MAOA (0.66) MAOAALDH1A1NPC1RAB9ALMNA
SCHEMBL20317341 0.78 MAOA (0.53) MAOAALDH1A1NPC1RAB9ALMNA
SCHEMBL20350085 0.78 MAOA (0.55) MAOAALDH1A1NPC1RAB9ALMNA
SCHEMBL20346764 0.78 ALDH1A1 (0.38) ALDH1A1NPC1RAB9AKDM4EMAPT
SCHEMBL20350032 0.77 ALDH1A1 (0.56) MAOAALDH1A1NPC1RAB9ALMNA
SCHEMBL20349996 0.76 MAOA (0.52) MAOAALDH1A1NPC1RAB9AMAPT

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-20180185325-A1 12H-BENZO[b]XANTHEN-12-ONES, COMPOSITIONS CONTAINING, AND USES OF, SAME THESAN PHARMACEUTICALS, INC. (US) 2018-07-05 — — 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-20180185325-A1 12H-BENZO[b]XANTHEN-12-ONES, COMPOSITIONS CONTAINING, AND USES OF, SAME AHR, NR1H2, NR1H3 MAOA 408/4885ALDH1A1 1200/4885NPC1 347/4885

“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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