SCHEMBL20349996

SCHEMBL20349996

COc1cccc2oc3ccc4cc5c(cc4c3c(=O)c12)OCO5

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 4/20 0.52
▸ ESR1 P03372 1/20 0.49
▸ KDM5A P29375 1/20 0.49
▸ ESR2 Q92731 1/20 0.49
▸ RAB9A P51151 7/20 0.46
▸ TOP2A P11388 1/20 0.44
▸ NPC1 O15118 6/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ HCRTR1 O43613 2/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ SENP6 Q9GZR1 1/20 0.43
▸ ABCG2 Q9UNQ0 1/20 0.43
▸ PDE5A O76074 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ALOX5 P09917 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41

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) MAOARAB9ATOP2ANPC1L3MBTL1
SCHEMBL20350033 0.86 MAOA (0.54) MAOAESR1KDM5AESR2RAB9A
SCHEMBL20346685 0.84 PDE10A (0.40) RAB9ATOP2ANPC1MEN1KMT2A
SCHEMBL20346681 0.81 PDE5A (0.41) RAB9ANPC1MEN1KMT2APDE5A
SCHEMBL20346675 0.80 MAOA (0.57) MAOAESR1KDM5AESR2RAB9A
SCHEMBL20349924 0.80 MAOA (0.57) MAOAESR1KDM5AESR2RAB9A
SCHEMBL20346680 0.80 MAOA (0.57) MAOAESR1KDM5AESR2RAB9A
SCHEMBL20346621 0.79 MEN1 (0.52) MAOARAB9ANPC1MEN1KMT2A
SCHEMBL20317340 0.79 MAOA (0.51) MAOAESR1KDM5AESR2RAB9A
SCHEMBL20349968 0.79 ALDH1A1 (0.58) MAOARAB9ANPC1CASP3SENP8

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 408/4885ESR1 118/4885KDM5A 2015/4885

“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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