SCHEMBL20349949

SCHEMBL20349949

COc1ccc2c(ccc3oc4c(OC)cccc4c(=O)c32)c1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 13/20 0.70
▸ NPC1 O15118 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ ACHE P22303 1/20 0.48
▸ MAOB P27338 1/20 0.48
▸ ABCG2 Q9UNQ0 2/20 0.46
▸ CYP2A6 P11509 1/20 0.46
▸ AHR P35869 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
SCHEMBL20349923 0.91 MAOA (0.68) MAOANPC1RAB9AKDM4EALDH1A1
SCHEMBL20346697 0.88 MAOA (0.58) MAOANPC1RAB9AKDM4EALDH1A1
SCHEMBL20346583 0.85 MAOA (0.67) MAOANPC1RAB9AKDM4EALDH1A1
SCHEMBL20349952 0.85 MAOA (0.56) MAOANPC1RAB9AKDM4EALDH1A1
SCHEMBL20350130 0.84 MAOA (0.51) MAOANPC1RAB9AKDM4EALDH1A1
SCHEMBL20329732 0.84 MAOA (0.76) MAOANPC1RAB9AKDM4EALDH1A1
SCHEMBL20329620 0.84 MAOA (0.76) MAOANPC1RAB9AKDM4EALDH1A1
SCHEMBL7335491 0.83 MAOA (1.00) MAOANPC1RAB9AKDM4EALDH1A1
SCHEMBL28846469 0.82 MAOA (0.52) MAOANPC1RAB9AKDM4EALDH1A1
SCHEMBL30091399 0.82 MAOA (0.52) MAOANPC1RAB9AKDM4EALDH1A1

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 408/4885NPC1 347/4885RAB9A 3885/4885

“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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