SCHEMBL3929009

SCHEMBL3929009

Oc1ccccc1OCc1ccc(Br)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.54
LMNA P02545 5/20 0.44
HTT P42858 2/20 0.44
KMT2A Q03164 3/20 0.44
RAB9A P51151 2/20 0.44
GAA P10253 3/20 0.43
MAPT P10636 2/20 0.43
JAK2 O60674 1/20 0.43
MAOB P27338 3/20 0.43
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 1/20 0.40
STAT3 P40763 1/20 0.40
STAT1 P42224 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 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
SCHEMBL3918943 0.82 APP (0.54) APPLMNAKMT2ARAB9AGAA
SCHEMBL4616640 0.82 APP (0.54) APPLMNAKMT2ARAB9AGAA
SCHEMBL3918660 0.79 APP (0.51) APPLMNAHTTKMT2ARAB9A
SCHEMBL3917345 0.76 LMNA (0.57) APPLMNAKMT2AMAPTMAOB
SCHEMBL3929011 0.76 MAOB (0.50) APPLMNAKMT2AGAAMAPT
Benzyl Bromide SCHEMBL5708213 0.75 APP (0.47) APPLMNAHTTKMT2ARAB9A
SCHEMBL8960607 0.75 APP (0.76) APPLMNAKMT2ARAB9AGAA
SCHEMBL10854605 0.74 APP (0.60) APPLMNARAB9AGAAMAPT
SCHEMBL130119 0.73 APP (0.72) APPLMNAKMT2AGAAMAPT
Benzyl Bromide SCHEMBL5708182 0.72 LMNA (0.52) APPLMNAKMT2AMAPTMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598266-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-10-06 US disclosed
US-7544707-B2 Bicyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-06-09 US disclosed
US-20090054479-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS CONNER SCOTT EUGENE 2009-02-26 US disclosed
US-7384965-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
US-20070106081-A1 Bicyclic derivatives as ppar modulators ELI LILLY AND COMPANY 2007-05-10 US disclosed
US-20060257987-A1 Ppar modulators ELI LILLY AND COMPANY 2006-11-16 US disclosed
EP-1706386-A1 BICYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-10-04 EP disclosed
US-20060205744-A1 Fused heterocyclic derivatives as ppar modulators ELI LILLY AND COMPANY PATENT DIVISION (US) 2006-09-14 US disclosed
EP-1660428-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-05-31 EP disclosed
EP-1585726-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-19 EP disclosed
WO-2005066136-A1 BICYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-07-21 WO disclosed
WO-2005019151-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-03 WO disclosed
WO-2004063155-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 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 (3 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-20060205744-A1 Fused heterocyclic derivatives as ppar modulators PPARA, PPARG, PPARD APP 4140/4885LMNA 1505/4885HTT 4403/4885
US-20070106081-A1 Bicyclic derivatives as ppar modulators PPARD, PPARA, PPARG APP 4186/4885LMNA 1698/4885HTT 4361/4885
US-20090054479-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS PPARA, PPARG, PPARD APP 3954/4885LMNA 1331/4885HTT 4284/4885

“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.