SCHEMBL435193

SCHEMBL435193

COc1ccc(COC(=O)C=Cc2ccc(OCc3ccc(OC)cc3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.63
GSK3B P49841 3/20 0.62
BACE1 P56817 2/20 0.62
MAPT P10636 2/20 0.60
LMNA P02545 3/20 0.58
TDP1 Q9NUW8 1/20 0.58
FFAR1 O14842 2/20 0.57
PPARG P37231 1/20 0.57
PPARD Q03181 1/20 0.57
PPARA Q07869 1/20 0.57
CA12 O43570 1/20 0.56
AKR1B10 O60218 1/20 0.56
AKR1B1 P15121 1/20 0.56
CA4 P22748 1/20 0.56
CA6 P23280 1/20 0.56
CA5A P35218 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
CA5B Q9Y2D0 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
SCHEMBL2239306 1.00 MAOB (0.63) MAOBGSK3BBACE1MAPTLMNA
SCHEMBL435192 1.00 MAOB (0.63) MAOBGSK3BBACE1MAPTLMNA
SCHEMBL839208 0.87 LMNA (0.75) MAOBGSK3BBACE1MAPTLMNA
SCHEMBL16689985 0.87 LMNA (0.75) MAOBGSK3BBACE1MAPTLMNA
SCHEMBL16689983 0.87 LMNA (0.75) MAOBGSK3BBACE1MAPTLMNA
SCHEMBL17603656 0.87 LMNA (0.75) MAOBGSK3BBACE1MAPTLMNA
SCHEMBL15239147 0.86 THRB (0.73) MAOBGSK3BBACE1FFAR1PPARG
SCHEMBL15239146 0.86 THRB (0.73) MAOBGSK3BBACE1FFAR1PPARG
SCHEMBL15687587 0.86 LMNA (0.77) MAOBGSK3BBACE1MAPTLMNA
SCHEMBL15687588 0.86 LMNA (0.77) MAOBGSK3BBACE1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003648-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2011-08-23 US disclosed
US-20100137323-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2010-06-03 US disclosed
US-7714008-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2010-05-11 US disclosed
US-7687526-B2 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2010-03-30 US disclosed
US-20100075974-A1 HETEROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2010-03-25 US disclosed
US-20090275598-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders AMGEN INC. (US) 2009-11-05 US disclosed
US-7582803-B2 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders AMGEN INC. (US) 2009-09-01 US disclosed
EP-2064193-A1 HETEROCYCLIC GPR40 MODULATORS Amgen, Inc (US) 2009-06-03 EP disclosed
EP-2061760-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS Amgen, Inc (US) 2009-05-27 EP disclosed
EP-1924546-A1 CONFORMATIONALLY CONSTRAINED 3- (4-HYDROXY-PHENYL) - SUBSTITUTED-PROPANOIC ACIDS USEFUL FOR TREATING METABOLIC DISORDERS Amgen, Inc (US) 2008-05-28 EP disclosed
US-20080119511-A1 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2008-05-22 US disclosed
US-20080090840-A1 Heterocyclic GPR40 Modulators AMGEN INC. (US) 2008-04-17 US disclosed
WO-2008030618-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2008-03-13 WO disclosed
WO-2008030520-A1 HETEROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2008-03-13 WO disclosed
US-20070066647-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders AMGEN ING. (US) 2007-03-22 US disclosed
WO-2007033002-A1 CONFORMATIONALLY CONSTRAINED 3- (4-HYDROXY-PHENYL) - SUBSTITUTED-PROPANOIC ACIDS USEFUL FOR TREATING METABOLIC DISORDERS AMGEN INC. (US) 2007-03-22 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 (6 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-20100075974-A1 HETEROCYCLIC GPR40 MODULATORS GPR119, GPR55, GPR65 MAOB 2930/4885GSK3B 3855/4885BACE1 2671/4885
US-20080119511-A1 Benzo-fused compounds for use in treating metabolic disorders GOT2, PC, GLS2 MAOB 486/4885GSK3B 3906/4885BACE1 1559/4885
US-20070066647-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders PC, PNLIP, PDHX MAOB 1610/4885GSK3B 3210/4885BACE1 1803/4885
US-20080090840-A1 Heterocyclic GPR40 Modulators GPR119, GPR55, GPR65 MAOB 2930/4885GSK3B 3855/4885BACE1 2671/4885
US-20090275598-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders PC, PNLIP, PDHX MAOB 1610/4885GSK3B 3210/4885BACE1 1803/4885
US-20100137323-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS GOT2, GLS2, PC MAOB 407/4885GSK3B 3337/4885BACE1 1019/4885

“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.