SCHEMBL3920523

SCHEMBL3920523

Cc1cc(COc2ccc(O)cc2)cc(C)c1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.52
PTGS1 P23219 1/20 0.52
SLC6A2 P23975 1/20 0.52
CYP2C19 P33261 1/20 0.52
PTGS2 P35354 1/20 0.52
SLC6A3 Q01959 1/20 0.52
HIF1A Q16665 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
APP P05067 1/20 0.49
PARP10 Q53GL7 1/20 0.44
LTA4H P09960 3/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
PRSS1 P07477 1/20 0.42

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
SCHEMBL4616641 0.83 APP (0.50) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL6027644 0.77 CYP1A2 (0.63) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL3920520 0.75 GAA (0.54) LMNAAPPTP53GAAMAPT
SCHEMBL11578826 0.74 APP (0.79) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL5633306 0.74 APP (0.79) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL10399449 0.73 MAOB (0.66) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL21699890 0.73 MAOB (0.66) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL3618116 0.73 APP (0.69) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL11601389 0.73 APP (0.69) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL3629799 0.73 MAOB (0.56) LMNACYP1A2PTGS1SLC6A2CYP2C19

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 LMNA 1505/4885CYP1A2 642/4885PTGS1 1562/4885
US-20070106081-A1 Bicyclic derivatives as ppar modulators PPARD, PPARA, PPARG LMNA 1698/4885CYP1A2 265/4885PTGS1 1139/4885
US-20090054479-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS PPARA, PPARG, PPARD LMNA 1331/4885CYP1A2 583/4885PTGS1 1406/4885

“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.