SCHEMBL12464720

SCHEMBL12464720

CCCCOc1ccc(-c2nc3ccc(O)cc3o2)cc1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.74
ESR2 Q92731 8/20 0.74
TLR7 Q9NYK1 6/20 0.58
TLR9 Q9NR96 3/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
MAPT P10636 1/20 0.52
CHRNB4 P30926 1/20 0.51
CHRNA3 P32297 1/20 0.51
CHRNA7 P36544 1/20 0.51
CHRNA10 Q9GZZ6 1/20 0.51
CHRNA9 Q9UGM1 1/20 0.51
APP P05067 1/20 0.51
GPR119 Q8TDV5 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
SCHEMBL9001558 0.86 ESR1 (0.60) ESR1ESR2TLR7MAPTCHRNB4
SCHEMBL12464719 0.85 TLR7 (0.64) ESR1ESR2TLR7TLR9NPC1
SCHEMBL4228077 0.82 ESR1 (0.74) ESR1ESR2NPC1RAB9AMAPT
SCHEMBL18726463 0.82 NPC1 (0.61) ESR1ESR2TLR7TLR9NPC1
SCHEMBL27090228 0.82 ESR1 (0.96) ESR1ESR2NPC1RAB9AMAPT
SCHEMBL12464721 0.81 TLR7 (0.85) ESR1ESR2TLR7TLR9MAPT
SCHEMBL12396814 0.81 ESR1 (0.63) ESR1ESR2NPC1RAB9AMAPT
SCHEMBL12397065 0.81 TLR7 (0.79) ESR1ESR2TLR7TLR9NPC1
SCHEMBL2158317 0.80 ESR1 (1.00) ESR1ESR2NPC1RAB9AMAPT
SCHEMBL18726400 0.80 TLR7 (0.58) ESR1ESR2TLR7TLR9MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350032-B1 BENZOXAZOLE COMPOUNDS AND METHODS OF USE EISAI R&D MAN CO LTD (JP) 2016-05-25 EP disclosed
US-8354400-B2 Benzoxazole compounds and methods of use EISAI R&D CO., LTD. (JP) 2013-01-15 US disclosed
US-20110183967-A1 BENZOXAZOLE COMPOUNDS AND METHODS OF USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-07-28 US disclosed
WO-2010036905-A1 BENZOXAZOLE COMPOUNDS AND METHODS OF USE EISAI R & D MANAGEMENT CO., LTD. (JP) 2010-04-01 WO disclosed
WO-2010036908-A1 USE OF BENZOXAZOLE COMPOUNDS IN THE TREATMENT OF MALARIA EISAI R & D MANAGEMENT CO., LTD. (JP) 2010-04-01 WO 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-20110183967-A1 BENZOXAZOLE COMPOUNDS AND METHODS OF USE CYP4X1, CYP3A5, CYP3A7 ESR1 2407/4885ESR2 2935/4885TLR7 1065/4885

“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.