SCHEMBL5523348

SCHEMBL5523348

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.41
CPT2 P23786 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
LCK P06239 1/20 0.38
PPARD Q03181 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
ACLY P53396 1/20 0.36
ALDH1A1 P00352 3/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
THRB P10828 1/20 0.33
RECQL P46063 1/20 0.33
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
ARG1 P05089 1/20 0.32
ARG2 P78540 1/20 0.32
CA2 P00918 1/20 0.31

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
SCHEMBL10785188 0.87 FFAR1 (0.66) FFAR1CPT2TDP1ACACBACACA
SCHEMBL10802174 0.80 FFAR1 (0.35) FFAR1CPT2TDP1ACACBACACA
SCHEMBL5531442 0.77 ZDHHC7 (0.43) FFAR1CPT2TDP1ACACBACACA
SCHEMBL7280628 0.76 ALDH1A1 (0.39) TDP1LCKPPARDZDHHC20ZDHHC2
SCHEMBL5531646 0.75 CYP4F2 (0.49) FFAR1CPT2TDP1ALDH1A1CYP4F2
SCHEMBL5517726 0.74 FFAR1 (0.43) FFAR1CPT2TDP1ACACBACACA
SCHEMBL5527722 0.74 ACACB (0.45) FFAR1CPT2TDP1ACACBACACA
SCHEMBL5524336 0.73 FFAR1 (0.41) FFAR1CPT2TDP1ACACBACACA
SCHEMBL5518816 0.73 FFAR1 (0.41) FFAR1CPT2TDP1ACACBACACA
SCHEMBL9870687 0.72 FFAR1 (0.38) FFAR1CPT2TDP1ACACBACACA

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
EP-0081930-B1 LONG-CHAIN ALPHA, OMEGA-DICARBOXYLIC ACIDS AND DERIVATIVES THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Epis S.A. (CH) 1986-07-30 EP claimed
EP-0081930-A1 Long-chain alpha, omega-dicarboxylic acids and derivatives thereof and pharmaceutical compositions containing them Epis S.A. (CH) 1983-06-22 EP claimed
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
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
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-0081930-B1 LONG-CHAIN ALPHA, OMEGA-DICARBOXYLIC ACIDS AND DERIVATIVES THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Epis S.A. (CH) 1986-07-30 EP 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
EP-0081930-A1 Long-chain alpha, omega-dicarboxylic acids and derivatives thereof and pharmaceutical compositions containing them Epis S.A. (CH) 1983-06-22 EP 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 FFAR1 144/4885CPT2 360/4885TDP1 2229/4885
US-20070203212-A1 METHOD OF TREATING OSTEOARTHRITIS SYVN1, MMP13, TNF FFAR1 1371/4885CPT2 714/4885TDP1 3613/4885
US-20050026979-A1 Methods for treating inflammation and inflammation-associated diseases with a statin and ether HMGCR, CXCL8, DHCR7 FFAR1 265/4885CPT2 434/4885TDP1 3202/4885
US-20050004196-A1 Pharmaceutical compositions including an ether and selective COX-2 inhibitor and methods for using such PTGES2, PTGES, PTGER2 FFAR1 449/4885CPT2 1268/4885TDP1 4216/4885
US-20040167229-A1 Method of lowering CRP and reducing systemic inflammation ALB, TTR, IL6 FFAR1 96/4885CPT2 2128/4885TDP1 3787/4885

“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.