SCHEMBL3920520

SCHEMBL3920520

Cc1cc(COc2ccccc2O)cc(C)c1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
APP P05067 1/20 0.53
ALDH1A1 P00352 1/20 0.49
MAPT P10636 3/20 0.46
JAK2 O60674 1/20 0.46
LMNA P02545 1/20 0.46
MAOB P27338 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
HPGD P15428 1/20 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
Benzyl Bromide SCHEMBL5708224 0.92 GAA (0.47) GAASMN1; SMN2APPALDH1A1MAPT
SCHEMBL4616640 0.84 APP (0.54) GAASMN1; SMN2APPALDH1A1MAPT
SCHEMBL7510928 0.77 MAPT (0.46) APPALDH1A1MAPTLMNAMAOB
SCHEMBL7909538 0.75 ABCB1 (0.60) GAAAPPALDH1A1MAPTJAK2
SCHEMBL130119 0.75 APP (0.72) GAAAPPALDH1A1MAPTJAK2
SCHEMBL3920523 0.75 LMNA (0.52) GAAAPPMAPTLMNAMAOB
SCHEMBL31405064 0.74 MAPT (0.50) SMN1; SMN2MAPTLMNAMAOBL3MBTL1
SCHEMBL8960607 0.73 APP (0.76) GAASMN1; SMN2APPALDH1A1MAPT
SCHEMBL3918660 0.73 APP (0.51) GAASMN1; SMN2APPALDH1A1MAPT
SCHEMBL8897512 0.73 MAPT (0.47) ALDH1A1MAPTLMNAL3MBTL1MAPK1

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 11 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
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

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 GAA 4154/4885SMN1; SMN2 4476/4885APP 4140/4885
US-20070106081-A1 Bicyclic derivatives as ppar modulators PPARD, PPARA, PPARG GAA 4779/4885SMN1; SMN2 4793/4885APP 4186/4885
US-20090054479-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS PPARA, PPARG, PPARD GAA 4119/4885SMN1; SMN2 4368/4885APP 3954/4885

“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.