SCHEMBL20349999

SCHEMBL20349999

COc1cccc2c(=O)c3c(ccc4cc5c(cc43)OCO5)oc12

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 11/20 0.55
▸ KDM4E B2RXH2 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ EDNRB P24530 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ACHE P22303 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ TOP2A P11388 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CYP2A6 P11509 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ AHR P35869 1/20 0.40

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
SCHEMBL20350033 0.86 MAOA (0.54) MAOAKDM4EALDH1A1NPC1LMNA
SCHEMBL20350031 0.86 MAOA (0.52) MAOAKDM4EALDH1A1NPC1LMNA
SCHEMBL20349996 0.86 MAOA (0.52) MAOAALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL20346717 0.84 PRNP (0.44) MAOAALDH1A1ACHEMAOBHPGD
SCHEMBL20349997 0.84 MAOA (0.46) MAOAKDM4EALDH1A1NPC1LMNA
SCHEMBL20346687 0.82 NPC1 (0.39) MAOAKDM4EALDH1A1NPC1RAB9A
SCHEMBL20346715 0.81 MAOA (0.60) MAOAKDM4EALDH1A1NPC1LMNA
SCHEMBL20346693 0.81 MAOA (0.60) MAOAKDM4EALDH1A1NPC1LMNA
SCHEMBL20349923 0.81 MAOA (0.68) MAOAKDM4EALDH1A1NPC1LMNA
SCHEMBL20349989 0.80 MEN1 (0.39) MAOAKDM4EALDH1A1NPC1RAB9A

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 408/4885KDM4E 2074/4885ALDH1A1 1200/4885

“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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