SCHEMBL2886166

SCHEMBL2886166

CCOC(=O)CCCOc1ccc(CO)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.57
BRD4 O60885 1/20 0.53
CYSLTR2 Q9NS75 1/20 0.53
CYSLTR1 Q9Y271 1/20 0.53
CYP4F2 P78329 2/20 0.51
CYP4A11 Q02928 2/20 0.51
MAPT P10636 1/20 0.50
FAAH O00519 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL12549253 0.89 LTA4H (0.59) LTA4HBRD4CYSLTR2CYSLTR1MAPT
SCHEMBL10726761 0.88 LTA4H (0.57) LTA4HBRD4CYSLTR2CYSLTR1SMN1; SMN2
SCHEMBL2653015 0.86 LTA4H (0.56) LTA4HBRD4CYSLTR2CYSLTR1MAPT
SCHEMBL30257467 0.86 LTA4H (0.56) LTA4HBRD4CYSLTR2CYSLTR1MAPT
SCHEMBL6937314 0.85 MEN1 (0.62) LTA4HBRD4CYSLTR2CYSLTR1MAPT
SCHEMBL3411565 0.84 LTA4H (0.54) LTA4HMAPTSMN1; SMN2
SCHEMBL3466988 0.84 CYSLTR2 (0.59) LTA4HBRD4CYSLTR2CYSLTR1MAPT
SCHEMBL8981963 0.84 BRD4 (0.56) LTA4HBRD4CYSLTR2CYSLTR1MAPT
SCHEMBL23582833 0.84 LTA4H (0.54) LTA4HBRD4CYSLTR2CYSLTR1
SCHEMBL5551284 0.84 LTA4H (0.57) LTA4HBRD4CYSLTR2CYSLTR1MAPT

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
WO-1999039207-A1 ACID CLEAVABLE PHENOXYALKYL LINKER FOR COMBINATORIAL SYNTHESIS PHARMACOPEIA, INC. (US) 1999-08-05 WO claimed
US-8580822-B2 Compositions, synthesis, and methods of using indanone based cholinesterase inhibitors REVIVA PHARMACEUTICALS, INC. (US) 2013-11-12 US disclosed
US-20120252842-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING INDANONE BASED CHOLINESTERASE INHIBITORS REVIVA PHARMACEUTICALS, INC. (US) 2012-10-04 US disclosed
US-8247563-B2 5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-one ; for therapy of Alzheimer's disease, myasthenia gravis, Huntingtons disease or glaucoma REVIVA PHARMACEUTICALS, INC. (US) 2012-08-21 US disclosed
US-7649009-B2 N-(trans-4-tert-butylcyclohexyl)-1-{4-[(1h-tetrazol-5-ylamino)carbonyl]benzyl }-3-(3,4,5-trifluoropbenyl)-1h-pyrazole-5-carboxamide; type 2 diabetes, hyperglycemia, diabetes or insulin resistance, Syndrome X, atherosclerosis MERCK & CO., INC. (US) 2010-01-19 US disclosed
EP-1765335-B1 PYRAZOLE AMIDE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO INC (US) 2009-11-25 EP disclosed
EP-2114166-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING INDANONE BASED CHOLINESTERASE INHIBITORS Reviva Pharmaceuticals, Inc. (US) 2009-11-11 EP disclosed
US-20080153878-A1 Compositions, synthesis, and methods of using indanone based cholinesterase inhibitors REVIVA PHARMACEUTICALS, INC. (US) 2008-06-26 US disclosed
WO-2008073452-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING INDANONE BASED CHOLINESTERASE INHIBITORS REVIVA PHARMACEUTICALS, INC. (US) 2008-06-19 WO disclosed
US-20070203186-A1 Pyrazole Amide Derivatives, Compositions Containing Such Compounds And Methods Of Use MERCK & CO., INC. (US) 2007-08-30 US disclosed
US-6930207-B2 Trifluoroacetylalkyl-substituted phenyl, phenol and benzoyl compounds and related methods of treatment SOLVAY PHARMACEUTICAL GMBH (DE) 2005-08-16 US disclosed
US-20040214901-A1 Trifluoroacetylalkyl-substituted phenyl, phenol and benzoyl compounds and related methods of treatment SOLVAY PHARMACEUTICALS GMBH (DE) 2004-10-28 US disclosed
WO-1999039207-A1 ACID CLEAVABLE PHENOXYALKYL LINKER FOR COMBINATORIAL SYNTHESIS PHARMACOPEIA, INC. (US) 1999-08-05 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-20040214901-A1 Trifluoroacetylalkyl-substituted phenyl, phenol and benzoyl compounds and related methods of treatment PNLIP, LIPC, CEL LTA4H 615/4885BRD4 305/4885CYSLTR2 3993/4885
US-20080153878-A1 Compositions, synthesis, and methods of using indanone based cholinesterase inhibitors ACHE, BCHE, CHKA LTA4H 665/4885BRD4 1094/4885CYSLTR2 2079/4885
US-20070203186-A1 Pyrazole Amide Derivatives, Compositions Containing Such Compounds And Methods Of Use AADAC, GOT2, GLS2 LTA4H 1645/4885BRD4 446/4885CYSLTR2 678/4885
US-20120252842-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING INDANONE BASED CHOLINESTERASE INHIBITORS ACHE, BCHE, CHKA LTA4H 665/4885BRD4 1094/4885CYSLTR2 2079/4885

“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.