SCHEMBL20317330

SCHEMBL20317330

Cc1ccc2cc3oc4c(F)cccc4c(=O)c3cc2c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 7/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ MAOB P27338 2/20 0.38
▸ DYRK1A Q13627 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ AHR P35869 1/20 0.35
▸ TTR P02766 2/20 0.34
▸ CYP2A6 P11509 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34

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
SCHEMBL20317290 0.86 MAOA (0.42) MAOAALDH1A1KDM4ENPC1LMNA
SCHEMBL20317286 0.86 MAOA (0.42) MAOAALDH1A1KDM4ENPC1LMNA
SCHEMBL20317226 0.86 MAOA (0.44) MAOAALDH1A1KDM4ENPC1LMNA
SCHEMBL19662669 0.85 MAOA (0.49) MAOAALDH1A1KDM4ENPC1LMNA
SCHEMBL20329914 0.85 MAOA (0.56) MAOAALDH1A1MAOBKDM4ENPC1
SCHEMBL20317308 0.84 AR (0.39) MAOAALDH1A1MAOBDYRK1AKDM4E
SCHEMBL20317313 0.84 AR (0.39) MAOAALDH1A1MAOBDYRK1AKDM4E
SCHEMBL20317326 0.83 ALDH1A1 (0.39) MAOAALDH1A1MAOBDYRK1ANPC1
SCHEMBL20317295 0.82 MAOA (0.63) MAOAALDH1A1MAOBKDM4ENPC1
SCHEMBL20317281 0.82 MAOA (0.63) MAOAALDH1A1MAOBKDM4ENPC1

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-20180179174-A1 12H-BENZO[b]XANTHEN-12-ONES, COMPOSITIONS CONTAINING, AND USES OF, SAME THESAN PHARMACEUTICALS, INC. (US) 2018-06-28 — — 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-20180179174-A1 12H-BENZO[b]XANTHEN-12-ONES, COMPOSITIONS CONTAINING, AND USES OF, SAME AHR, NR1H2, NR1H3 MAOA 408/4885ALDH1A1 1200/4885MAOB 220/4885

“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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