SCHEMBL20317239

SCHEMBL20317239

COc1cccc2cc3oc4ccccc4c(=O)c3cc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.71
▸ MEN1 O00255 3/20 0.71
▸ KMT2A Q03164 3/20 0.71
▸ MAOA P21397 10/20 0.62
▸ KDM4E B2RXH2 5/20 0.61
▸ ALDH1A1 P00352 4/20 0.61
▸ RAB9A P51151 2/20 0.61
▸ LMNA P02545 1/20 0.61
▸ ESR1 P03372 1/20 0.51
▸ KDM5A P29375 1/20 0.51
▸ ESR2 Q92731 1/20 0.51
▸ HPGD P15428 3/20 0.51
▸ CYP2C9 P11712 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 3/20 0.50
▸ HSD17B10 Q99714 3/20 0.50
▸ GLA P06280 1/20 0.50

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
SCHEMBL20317243 0.94 NPC1 (0.71) NPC1MEN1KMT2AMAOAKDM4E
SCHEMBL20317293 0.87 MAOA (0.64) NPC1MEN1KMT2AMAOAKDM4E
SCHEMBL20317324 0.86 NPC1 (0.52) NPC1MEN1KMT2AMAOAKDM4E
SCHEMBL20317294 0.86 NPC1 (0.66) NPC1MEN1KMT2AMAOAKDM4E
SCHEMBL20317287 0.86 MAOA (0.66) NPC1MEN1KMT2AMAOAKDM4E
SCHEMBL20317329 0.86 NPC1 (0.52) NPC1MEN1KMT2AMAOAKDM4E
SCHEMBL20317274 0.86 MAOA (0.65) NPC1MEN1KMT2AMAOAKDM4E
SCHEMBL20317256 0.84 NPC1 (0.53) NPC1MEN1KMT2AMAOAKDM4E
SCHEMBL7331674 0.84 NPC1 (1.00) NPC1MEN1KMT2AMAOAKDM4E
SCHEMBL20317325 0.83 MAOA (0.51) NPC1MEN1KMT2AMAOAKDM4E

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 NPC1 347/4885MEN1 3576/4885KMT2A 1775/4885

“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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