SCHEMBL5525617

SCHEMBL5525617

CC(C)(CCCC/C=C/CCCCC(C)(C)CC(=O)O)CC(=O)O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.72
FFAR1 O14842 2/20 0.72
CPT2 P23786 1/20 0.72
ACLY P53396 1/20 0.57
KDM4E B2RXH2 2/20 0.43
PPARG P37231 5/20 0.42
PPARD Q03181 4/20 0.42
PPARA Q07869 4/20 0.42
TERT O14746 3/20 0.42
PTPN1 P18031 3/20 0.42
MAPT P10636 3/20 0.42
BLM P54132 3/20 0.42
HSD17B10 Q99714 3/20 0.42
FABP4 P15090 3/20 0.42
TOP1 P11387 3/20 0.42
F7 P08709 2/20 0.42
F3 P13726 2/20 0.42
USP2 O75604 2/20 0.42
LMNA P02545 2/20 0.42
ALOX15 P16050 2/20 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
SCHEMBL5525620 1.00 TDP1 (0.72) TDP1FFAR1CPT2ACLYKDM4E
SCHEMBL1834211 0.84 FFAR1 (1.00) TDP1FFAR1CPT2ACLYKDM4E
SCHEMBL1832938 0.84 FFAR1 (1.00) TDP1FFAR1CPT2ACLYKDM4E
SCHEMBL186164 0.84 FFAR1 (1.00) TDP1FFAR1CPT2ACLYKDM4E
SCHEMBL5523390 0.84 FFAR1 (1.00) TDP1FFAR1CPT2ACLYKDM4E
SCHEMBL8037883 0.84 FFAR1 (1.00) TDP1FFAR1CPT2ACLYKDM4E
SCHEMBL29618243 0.79 FFAR1 (0.65) TDP1FFAR1CPT2ACLYKDM4E
SCHEMBL8087636 0.78 TDP1 (0.78) TDP1FFAR1CPT2KDM4EPPARG
SCHEMBL11104448 0.78 FFAR1 (0.78) TDP1FFAR1CPT2KDM4ECYP2C19
SCHEMBL5878804 0.77 TDP1 (0.83) TDP1FFAR1CPT2PPARGPPARD

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 10 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
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 TDP1 2229/4885FFAR1 144/4885CPT2 360/4885
US-20070203212-A1 METHOD OF TREATING OSTEOARTHRITIS SYVN1, MMP13, TNF TDP1 3613/4885FFAR1 1371/4885CPT2 714/4885
US-20050026979-A1 Methods for treating inflammation and inflammation-associated diseases with a statin and ether HMGCR, CXCL8, DHCR7 TDP1 3202/4885FFAR1 265/4885CPT2 434/4885
US-20050004196-A1 Pharmaceutical compositions including an ether and selective COX-2 inhibitor and methods for using such PTGES2, PTGES, PTGER2 TDP1 4216/4885FFAR1 449/4885CPT2 1268/4885
US-20040167229-A1 Method of lowering CRP and reducing systemic inflammation ALB, TTR, IL6 TDP1 3787/4885FFAR1 96/4885CPT2 2128/4885

“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.