SCHEMBL15968947

SCHEMBL15968947

Oc1ccc2nc(-c3ccc(OCC4CC4)c(F)c3)oc2c1F

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 16/20 0.45
ESR1 P03372 14/20 0.45
TLR9 Q9NR96 2/20 0.39
TLR8 Q9NR97 2/20 0.39
TLR7 Q9NYK1 2/20 0.39
FFAR4 Q5NUL3 2/20 0.39

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
SCHEMBL15969100 0.85 ESR2 (0.39) ESR2ESR1
SCHEMBL15968670 0.83 ESR2 (0.44) ESR2ESR1
SCHEMBL15968808 0.82 ESR1 (0.60) ESR2ESR1TLR9TLR8TLR7
SCHEMBL15968386 0.81 ESR2 (0.47) ESR2ESR1
SCHEMBL15968110 0.79 ACACB (0.50)
SCHEMBL15968188 0.75 ESR1 (0.40) ESR2ESR1TLR9TLR8TLR7
SCHEMBL15980412 0.72 ACACA (0.50) TLR7
SCHEMBL15969110 0.72 S1PR5 (0.40) TLR9TLR8TLR7FFAR4
SCHEMBL15968375 0.72 TLR9 (0.38) TLR9TLR8TLR7FFAR4
SCHEMBL15969343 0.71 ACACA (0.58)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133129-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-15 US disclosed
EP-2772485-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-09-03 EP disclosed
US-20140243310-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-28 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-20140243310-A1 BICYCLIC COMPOUND BICRA, NR3C2, CYP11B2 ESR2 2876/4885ESR1 2402/4885TLR9 3899/4885

“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.