SCHEMBL5524671

SCHEMBL5524671

CC(C)(CCCCCCC(C)(C)C(=O)O)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.74
ACACB O00763 1/20 0.71
ACACA Q13085 1/20 0.71
TBXAS1 P24557 2/20 0.52
TDP1 Q9NUW8 2/20 0.50
FFAR1 O14842 1/20 0.50
CPT2 P23786 1/20 0.50
PPARA Q07869 5/20 0.44
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
TSHR P16473 2/20 0.42
TTR P02766 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C8 P10632 1/20 0.42
CHRM1 P11229 1/20 0.42
CYP2C9 P11712 1/20 0.42
ADRA1A P35348 1/20 0.42
PPARG P37231 1/20 0.42
HTR2B P41595 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL4190226 1.00 ACLY (0.74) ACLYACACBACACATBXAS1TDP1
SCHEMBL6254902 1.00 ACLY (0.74) ACLYACACBACACATBXAS1TDP1
SCHEMBL20474799 1.00 ACLY (0.74) ACLYACACBACACATBXAS1TDP1
SCHEMBL1832600 1.00 ACLY (0.74) ACLYACACBACACATBXAS1TDP1
SCHEMBL1836313 1.00 ACLY (0.74) ACLYACACBACACATBXAS1TDP1
SCHEMBL5528331 1.00 ACLY (0.74) ACLYACACBACACATBXAS1TDP1
SCHEMBL9177458 1.00 ACLY (0.74) ACLYACACBACACATBXAS1TDP1
Ammonia Solution, Strong SCHEMBL9181436 0.97 ACLY (0.71) ACLYACACBACACATBXAS1TDP1
SCHEMBL7222208 0.97 ACLY (0.70) ACLYACACBACACATBXAS1TDP1
Ammonia Solution, Strong SCHEMBL9177435 0.94 ACLY (0.67) ACLYACACBACACATBXAS1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070203212-A1 METHOD OF TREATING OSTEOARTHRITIS WARNER-LAMBERT COMPANY (US) 2007-08-30 US claimed
US-20040048910-A1 Dialkyl ether di-substituted with formyl, carboxy acid, ester and/or tetrazole, which are on tertiary carbon atoms, e.g., 6-(5-carboxy-5-methylhexyloxy)-2,2-dimethylhexanoic acid; lupus, connective tissue disease, sepsis, joint pain WARNER-LAMBERT COMPANY 2004-03-11 US claimed
US-9375519-B2 Bioerodable poly(etheresteramides) and medical article uses SURMODICS, INC. (US) 2016-06-28 US disclosed
WO-2014004512-A1 BIOERODABLE POLY(ETHERESTERAMIDES) AND MEDICAL ARTICLE USES SURMODICS, INC. (US) 2014-01-03 WO disclosed
US-20130344126-A1 BIOERODABLE POLY(ETHERESTERAMIDES) AND MEDICAL ARTICLE USES BANK OF MONTREAL, AS COLLATERAL AGENT 2013-12-26 US disclosed
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
CN-1678297-A Method of treating osteoarthritis WARNER LAMBERT CO (US) 2005-10-05 CN 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
US-20040167229-A1 Method of lowering CRP and reducing systemic inflammation BAKKER-ARKEMA REBECCA (US) 2004-08-26 US disclosed
WO-2004045596-A1 METHOD OF LOWERING CRP AND REDUCING SYSTEMIC INFLAMMATION WARNER-LAMBERT COMPANY LLC (US) 2004-06-03 WO disclosed
US-20040048910-A1 Dialkyl ether di-substituted with formyl, carboxy acid, ester and/or tetrazole, which are on tertiary carbon atoms, e.g., 6-(5-carboxy-5-methylhexyloxy)-2,2-dimethylhexanoic acid; lupus, connective tissue disease, sepsis, joint pain WARNER-LAMBERT COMPANY 2004-03-11 US disclosed
WO-2004017952-A1 METHOD OF TREATING OSTEOARTHRITIS WARNER-LAMBERT COMPANY LLC (US) 2004-03-04 WO disclosed
US-6570028-B1 Reacting a diacid with epi(chloro or bromo)hydrin; using Group 1a hydroxide catalyst; distillation RESOLUTION PERFORMANCE PRODUCTS LLC 2003-05-27 US 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 (5 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-20040048910-A1 Dialkyl ether di-substituted with formyl, carboxy acid, ester and/or tetrazole, which are on tertiary carbon atoms, e.g., 6-(5-carboxy-5-methylhexyloxy)-2,2-dimethylhexanoic acid; lupus, connective tissue disease, sepsis, joint pain TLR5, SSB, TLR4 ACLY 3034/4885ACACB 2221/4885ACACA 1120/4885
US-20070203212-A1 METHOD OF TREATING OSTEOARTHRITIS SYVN1, MMP13, TNF ACLY 560/4885ACACB 412/4885ACACA 228/4885
US-20050026979-A1 Methods for treating inflammation and inflammation-associated diseases with a statin and ether HMGCR, CXCL8, DHCR7 ACLY 1581/4885ACACB 608/4885ACACA 718/4885
US-20050004196-A1 Pharmaceutical compositions including an ether and selective COX-2 inhibitor and methods for using such PTGES2, PTGES, PTGER2 ACLY 1982/4885ACACB 1067/4885ACACA 1964/4885
US-20040167229-A1 Method of lowering CRP and reducing systemic inflammation ALB, TTR, IL6 ACLY 2661/4885ACACB 1828/4885ACACA 1857/4885

“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.