SCHEMBL3923014

SCHEMBL3923014

CCCCOC(=O)/C=C/c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.64
BACE1 P56817 4/20 0.64
AKR1B10 O60218 4/20 0.62
AKR1B1 P15121 4/20 0.62
LMNA P02545 1/20 0.58
MAOB P27338 3/20 0.58
CA12 O43570 1/20 0.58
CA4 P22748 1/20 0.58
CA6 P23280 1/20 0.58
CA5A P35218 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
CA14 Q9ULX7 1/20 0.58
CA5B Q9Y2D0 1/20 0.58
EGFR P00533 1/20 0.57
ERBB2 P04626 1/20 0.57
ABCG2 Q9UNQ0 1/20 0.57
APP P05067 1/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56

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
SCHEMBL3921921 0.98 GSK3B (0.61) GSK3BBACE1AKR1B10AKR1B1LMNA
SCHEMBL6539306 0.88 GSK3B (0.68) GSK3BBACE1AKR1B10AKR1B1LMNA
SCHEMBL6539315 0.88 GSK3B (0.68) GSK3BBACE1AKR1B10AKR1B1LMNA
SCHEMBL15687588 0.87 LMNA (0.77) GSK3BBACE1AKR1B10AKR1B1LMNA
SCHEMBL15687587 0.87 LMNA (0.77) GSK3BBACE1AKR1B10AKR1B1LMNA
SCHEMBL19088247 0.87 APP (0.68) LMNACA12CA7CA9CA14
SCHEMBL19244249 0.87 APP (0.68) LMNACA12CA7CA9CA14
SCHEMBL2187265 0.85 EGFR (0.49) GSK3BBACE1AKR1B10AKR1B1LMNA
SCHEMBL3355331 0.85 EGFR (0.49) GSK3BBACE1AKR1B10AKR1B1LMNA
Butyl Cinnamate SCHEMBL119511 0.85 APP (0.65) AKR1B10AKR1B1LMNAMAOBAPP

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 GSK3B 4628/4885BACE1 3756/4885AKR1B10 1903/4885
US-20070106081-A1 Bicyclic derivatives as ppar modulators PPARD, PPARA, PPARG GSK3B 4125/4885BACE1 3232/4885AKR1B10 484/4885
US-20090054479-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS PPARA, PPARG, PPARD GSK3B 4699/4885BACE1 3507/4885AKR1B10 2002/4885

“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.