SCHEMBL20317340

SCHEMBL20317340

COc1cccc2oc3cc4ccc5c(c4cc3c(=O)c12)OCO5

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 4/20 0.51
▸ ESR1 P03372 1/20 0.51
▸ KDM5A P29375 1/20 0.51
▸ ESR2 Q92731 1/20 0.51
▸ RAB9A P51151 7/20 0.47
▸ NPC1 O15118 7/20 0.47
▸ MEN1 O00255 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ HCRTR1 O43613 2/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ SENP6 Q9GZR1 1/20 0.47
▸ POLB P06746 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ KDM1A O60341 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 1/20 0.42

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
SCHEMBL20317341 0.86 MAOA (0.53) MAOARAB9ANPC1MEN1KMT2A
SCHEMBL20317345 0.83 PDE5A (0.36) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL20317316 0.82 KDM4E (0.38) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL20317293 0.81 MAOA (0.64) MAOAESR1KDM5AESR2RAB9A
SCHEMBL20317349 0.80 AR (0.35) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL20317280 0.80 MAOA (0.47) MAOARAB9ANPC1MEN1KMT2A
SCHEMBL20317344 0.80 CYP3A4 (0.53) MAOARAB9ANPC1MEN1KMT2A
SCHEMBL20317343 0.80 NPC1 (0.58) MAOARAB9ANPC1CASP3SENP8
SCHEMBL20349996 0.79 MAOA (0.52) MAOAESR1KDM5AESR2RAB9A
SCHEMBL20317303 0.78 ALDH1A1 (0.44) RAB9ANPC1MEN1KMT2APOLB

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 2 patents. 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
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 408/4885ESR1 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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