SCHEMBL5527722

SCHEMBL5527722

CC(C)(CCCCCCCCCCC(C)(C)C(O)C(=O)O)C(O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.45
ACACA Q13085 1/20 0.45
FFAR1 O14842 2/20 0.43
CPT2 P23786 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
ACLY P53396 2/20 0.38
PTGS1 P23219 1/20 0.37
KCNH2 Q12809 1/20 0.37
GPR84 Q9NQS5 3/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
TP53 P04637 1/20 0.33

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
SCHEMBL1981419 0.87 CPT2 (0.39) ACACBACACAFFAR1CPT2TDP1
SCHEMBL4093237 0.81 HDAC1 (0.37) ACACBACACAFFAR1CPT2TDP1
SCHEMBL14661405 0.81 HDAC1 (0.37) ACACBACACAFFAR1CPT2TDP1
SCHEMBL14661634 0.81 HDAC1 (0.37) ACACBACACAFFAR1CPT2TDP1
SCHEMBL5517726 0.76 FFAR1 (0.43) ACACBACACAFFAR1CPT2TDP1
Pantoic Acid SCHEMBL213982 0.75 PTGS1 (0.48) CPT2ACLYPTGS1KCNH2TP53
Pantoic Acid SCHEMBL29112230 0.75 PTGS1 (0.48) CPT2ACLYPTGS1KCNH2TP53
SCHEMBL8277447 0.75 CPT2 (0.38) FFAR1CPT2TDP1ACLYPTGS1
SCHEMBL14661898 0.75 CPT2 (0.38) FFAR1CPT2TDP1ACLYPTGS1
SCHEMBL14661666 0.75 CPT2 (0.38) FFAR1CPT2TDP1ACLYPTGS1

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 11 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 disclosed
EP-1572189-A1 METHOD OF LOWERING CRP AND REDUCING SYSTEMIC INFLAMMATION Warner-Lambert Company LLC (US) 2005-09-14 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
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
US-4711896-A ANTIDIABETIC, ANTILIPEMIC AGENTS EPIS S.A. (CH) 1987-12-08 US disclosed
US-4689344-A ANTICHOLESTEROL AGENTS EPIS S.A. (CH) 1987-08-25 US disclosed
EP-0185080-A1 EPIS SA 1986-06-25 EP disclosed
WO-1986000298-A1 ALPHA-, OMEGA-DICARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION AND MEDICINES COMPOSED THEREOF EPIS S.A. (CH) 1986-01-16 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 (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 ACACB 2221/4885ACACA 1120/4885FFAR1 144/4885
US-20070203212-A1 METHOD OF TREATING OSTEOARTHRITIS SYVN1, MMP13, TNF ACACB 412/4885ACACA 228/4885FFAR1 1371/4885
US-20050026979-A1 Methods for treating inflammation and inflammation-associated diseases with a statin and ether HMGCR, CXCL8, DHCR7 ACACB 608/4885ACACA 718/4885FFAR1 265/4885
US-20050004196-A1 Pharmaceutical compositions including an ether and selective COX-2 inhibitor and methods for using such PTGES2, PTGES, PTGER2 ACACB 1067/4885ACACA 1964/4885FFAR1 449/4885
US-20040167229-A1 Method of lowering CRP and reducing systemic inflammation ALB, TTR, IL6 ACACB 1828/4885ACACA 1857/4885FFAR1 96/4885

“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.