SCHEMBL5520111

SCHEMBL5520111

CC(C)(CCCCCCCCCCC(C)(C)C(C#N)C(=O)O)C(C#N)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.38
CPT2 P23786 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
ACLY P53396 1/20 0.33
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 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
SCHEMBL8508470 0.79 DPP4 (0.33) TDP1
SCHEMBL6332824 0.78 CYP4F2 (0.45) CYP4F2CYP4A11
SCHEMBL1336381 0.73 DPP4 (0.36)
SCHEMBL11147716 0.73
SCHEMBL11269715 0.72 MEN1 (0.35)
Bicarbonate SCHEMBL11385004 0.72 DPP4 (0.35)
Ethane SCHEMBL11256964 0.71 MEN1 (0.34)
SCHEMBL11152701 0.71
SCHEMBL10828359 0.71
SCHEMBL11120681 0.70 ALDH1A1 (0.33)

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
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
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-4689344-A ANTICHOLESTEROL AGENTS EPIS S.A. (CH) 1987-08-25 US disclosed
US-4634795-A TREATMENT OF OBESITY, HYPERLIPIDEMIA, AND MATURITY-ONSET DIABETES EPIS S.A. (CH) 1987-01-06 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-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.