SCHEMBL15968352

SCHEMBL15968352

Oc1ccc2nc(-c3cc(F)c(OCC4CC4)c(F)c3)oc2c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 12/20 0.56
ESR2 Q92731 12/20 0.56
APP P05067 5/20 0.45
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
ACACA Q13085 1/20 0.40

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
SCHEMBL15968808 0.87 ESR1 (0.60) ESR1ESR2APPNPC1RAB9A
SCHEMBL15968728 0.78 ESR1 (0.60) ESR1ESR2APPNPC1RAB9A
SCHEMBL15968370 0.77 ACACA (0.58) ACACA
SCHEMBL15968178 0.77 ACACA (0.50) FFAR4ACACA
SCHEMBL1378406 0.72 ESR2 (1.00) ESR1ESR2NPC1RAB9A
SCHEMBL15968715 0.72 ACACA (0.54) ACACA
SCHEMBL15968188 0.71 ESR1 (0.40) ESR1ESR2FFAR4
SCHEMBL27090228 0.71 ESR1 (0.96) ESR1ESR2APPNPC1RAB9A
SCHEMBL15968829 0.71 ACACB (0.42) FFAR4ACACA
SCHEMBL15968702 0.71 ACACB (0.49) ACACA

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 2876/4885APP 3591/4885

“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.