SCHEMBL3917285

SCHEMBL3917285

CCOC(=O)C=Cc1ccc(O)cc1CC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA7 P43166 1/20 0.60
CA9 Q16790 1/20 0.60
CA14 Q9ULX7 1/20 0.60
TTR P02766 1/20 0.52
DPP4 P27487 1/20 0.52
ESR1 P03372 3/20 0.51
CYP3A4 P08684 1/20 0.50
HSD17B1 P14061 1/20 0.50
HSD17B2 P37059 1/20 0.50
AKR1B10 O60218 7/20 0.49
AKR1B1 P15121 7/20 0.49
MAOB P27338 1/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
TP53 P04637 1/20 0.48

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
SCHEMBL13242473 1.00 CA12 (0.60) CA12CA1CA2CA7CA9
SCHEMBL3930066 0.90 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL15960946 0.86 ESR1 (0.62) CA12CA1CA2CA7CA9
SCHEMBL9774045 0.86 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL9774036 0.86 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL27418956 0.85 TTR (0.49) CA12CA1CA2CA7CA9
SCHEMBL27707732 0.84 APP (0.58) AKR1B10AKR1B1APP
SCHEMBL16864035 0.84 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL4519170 0.84 POLB (0.48) CA12CA1CA2CA7CA9
SCHEMBL2393206 0.84 BACE1 (0.63) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216827-A1 ARYL GPR120 RECEPTOR AGONISTS AND USES THEREOF METABOLEX, INC. 2010-08-26 US disclosed
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 (4 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 CA12 4110/4885CA1 4102/4885CA2 2952/4885
US-20070106081-A1 Bicyclic derivatives as ppar modulators PPARD, PPARA, PPARG CA12 4349/4885CA1 4329/4885CA2 2721/4885
US-20090054479-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS PPARA, PPARG, PPARD CA12 4180/4885CA1 4245/4885CA2 3332/4885
US-20100216827-A1 ARYL GPR120 RECEPTOR AGONISTS AND USES THEREOF GPR119, GPR52, GCGR CA12 4718/4885CA1 4877/4885CA2 4170/4885

“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.