SCHEMBL15968407

SCHEMBL15968407

Oc1ccc2nc(-c3ccc(OCc4ccccc4)c(F)c3)oc2c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.61
ESR2 Q92731 11/20 0.61
ERN1 O75460 1/20 0.47
APP P05067 4/20 0.47
FFAR1 O14842 1/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
VSIR Q9H7M9 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL15968386 0.83 ESR2 (0.47) ESR1ESR2ERN1FFAR1PPARD
SCHEMBL12396814 0.82 ESR1 (0.63) ESR1ESR2APPNPC1RAB9A
SCHEMBL15968808 0.81 ESR1 (0.60) ESR1ESR2APPNPC1RAB9A
SCHEMBL15968518 0.79 FFAR1 (0.42) ERN1FFAR1PPARDPPARAVSIR
SCHEMBL15968145 0.79 MAPT (0.44) FFAR1PPARDPPARA
SCHEMBL15968598 0.78 ACACB (0.48) FFAR1PPARDPPARAVSIR
SCHEMBL1378406 0.77 ESR2 (1.00) ESR1ESR2NPC1RAB9A
SCHEMBL21162496 0.76 ERN1 (0.59) ERN1FFAR1PPARD
SCHEMBL1128800 0.76 S1PR5 (0.52) ERN1NPC1
SCHEMBL8034090 0.75 ESR1 (0.81) ESR1ESR2APPNPC1RAB9A

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 ESR1 2402/4885ESR2 2876/4885ERN1 3206/4885

“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.