SCHEMBL5528996

SCHEMBL5528996

CC(C)(CCCOCCCC(C)(C)C(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.52
PPARA Q07869 13/20 0.51
ACACB O00763 1/20 0.50
ACACA Q13085 1/20 0.50
TTR P02766 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C8 P10632 1/20 0.49
CHRM1 P11229 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
ADRA1A P35348 1/20 0.49
PPARG P37231 1/20 0.49
HTR2B P41595 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SLCO1B3 Q9NPD5 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CISD1 Q9NZ45 1/20 0.49
SLCO1B1 Q9Y6L6 1/20 0.49
TBXAS1 P24557 1/20 0.39
LTB4R Q15722 1/20 0.38

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
SCHEMBL6255729 0.98 PPARA (0.50) ACLYPPARAACACBACACATTR
SCHEMBL6255723 0.98 PPARA (0.50) ACLYPPARAACACBACACATTR
SCHEMBL5520099 0.96 PPARA (0.49) ACLYPPARAACACBACACATTR
SCHEMBL5521484 0.94 ACLY (0.57) ACLYPPARAACACBACACATTR
Gemcabene SCHEMBL761631 0.93 ACLY (0.55) ACLYPPARAACACBACACATTR
SCHEMBL6258161 0.91 ACLY (0.53) ACLYPPARAACACBACACATTR
SCHEMBL5531453 0.91 ACLY (0.59) ACLYPPARAACACBACACATTR
Gemcabene SCHEMBL528316 0.91 ACLY (0.53) ACLYPPARAACACBACACATTR
Gemcabene SCHEMBL4184554 0.91 ACLY (0.53) ACLYPPARAACACBACACATTR
SCHEMBL14269711 0.91 ACLY (0.59) ACLYPPARAACACBACACATTR

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0820428-B1 TERMINAL CARBOXY OR TETRAZOLE GROUPS CONTAINING DIALKYL ETHERS WARNER LAMBERT CO (US) 2000-05-10 EP claimed
US-5756544-A ADMINISTERING TO LOWER LEVELS OF LOW DENSITY LIPOPROTEINS AND TO RAISE THE LEVELS OF HIGH DENSITY LIPOPROTEINS WARNER-LAMBERT COMPANY (US) 1998-05-26 US claimed
EP-0820428-A1 TERMINAL CARBOXY OR TETRAZOLE GROUPS CONTAINING DIALKYL ETHERS WARNER-LAMBERT COMPANY (US) 1998-01-28 EP claimed
WO-1996030328-A1 TERMINAL CARBOXY OR TETRAZOLE GROUPS CONTAINING DIALKYL ETHERS WARNER-LAMBERT COMPANY (US) 1996-10-03 WO claimed
US-20070203212-A1 METHOD OF TREATING OSTEOARTHRITIS WARNER-LAMBERT COMPANY (US) 2007-08-30 US disclosed
EP-1651205-A1 METHODS FOR TREATING INFLAMMATION AND INFLAMMATION-ASSOCIATED DISEASES WITH A STATIN AND ETHER Warner-Lambert Company LLC (US) 2006-05-03 EP disclosed
EP-1572189-A1 METHOD OF LOWERING CRP AND REDUCING SYSTEMIC INFLAMMATION Warner-Lambert Company LLC (US) 2005-09-14 EP disclosed
EP-1539127-A1 METHOD OF TREATING OSTEOARTHRITIS WARNER-LAMBERT COMPANY LLC (US) 2005-06-15 EP disclosed
US-20050026979-A1 Methods for treating inflammation and inflammation-associated diseases with a statin and ether GHAZZI MAHA (US) 2005-02-03 US disclosed
WO-2005009431-A1 METHODS FOR TREATING INFLAMMATION AND INFLAMMATION-ASSOCIATED DISEASES WITH A STATIN AND ETHER WARNER-LAMBERT COMPANY LLC (US) 2005-02-03 WO disclosed
WO-2005002557-A1 PHARMACEUTICAL COMPOSITIONS INCLUDING AN ETHER AND SELECTIVE COX-2 INHIBITOR AND USES THEREOF WARNER-LAMBERT COMPANY LLC (US) 2005-01-13 WO disclosed
US-20050004196-A1 Pharmaceutical compositions including an ether and selective COX-2 inhibitor and methods for using such WARNER-LAMBERT COMPANY LLC 2005-01-06 US disclosed
WO-2004017952-A1 METHOD OF TREATING OSTEOARTHRITIS WARNER-LAMBERT COMPANY LLC (US) 2004-03-04 WO disclosed
EP-0820428-B1 TERMINAL CARBOXY OR TETRAZOLE GROUPS CONTAINING DIALKYL ETHERS WARNER LAMBERT CO (US) 2000-05-10 EP disclosed
US-5783600-A FOR ELEVATING HDL CHOLESTEROL; ANTIDIABETIC AGENTS WARNER-LAMBERT COMPANY (US) 1998-07-21 US disclosed
US-5756544-A ADMINISTERING TO LOWER LEVELS OF LOW DENSITY LIPOPROTEINS AND TO RAISE THE LEVELS OF HIGH DENSITY LIPOPROTEINS WARNER-LAMBERT COMPANY (US) 1998-05-26 US disclosed
US-5750569-A LOWERING PLASMA LIPIDS WARNER-LAMBERT COMPANY (US) 1998-05-12 US disclosed
EP-0820428-A1 TERMINAL CARBOXY OR TETRAZOLE GROUPS CONTAINING DIALKYL ETHERS WARNER-LAMBERT COMPANY (US) 1998-01-28 EP disclosed
US-5648387-A Carboxyalkylethers, formulations, and treatment of vascular diseases WARNER-LAMBERT COMPANY (US) 1997-07-15 US disclosed
WO-1996030328-A1 TERMINAL CARBOXY OR TETRAZOLE GROUPS CONTAINING DIALKYL ETHERS WARNER-LAMBERT COMPANY (US) 1996-10-03 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-20070203212-A1 METHOD OF TREATING OSTEOARTHRITIS SYVN1, MMP13, TNF ACLY 560/4885PPARA 33/4885ACACB 412/4885
US-20050026979-A1 Methods for treating inflammation and inflammation-associated diseases with a statin and ether HMGCR, CXCL8, DHCR7 ACLY 1581/4885PPARA 22/4885ACACB 608/4885
US-20050004196-A1 Pharmaceutical compositions including an ether and selective COX-2 inhibitor and methods for using such PTGES2, PTGES, PTGER2 ACLY 1982/4885PPARA 224/4885ACACB 1067/4885

“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.