SCHEMBL4184422

SCHEMBL4184422

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.62
FFAR1 O14842 2/20 0.62
CPT2 P23786 1/20 0.62
TBXAS1 P24557 2/20 0.53
TSHR P16473 5/20 0.46
LMNA P02545 1/20 0.46
NFKB1 P19838 1/20 0.46
PMP22 Q01453 1/20 0.46
NAALAD2 Q9Y3Q0 1/20 0.43
GPR84 Q9NQS5 7/20 0.42
PPARG P37231 7/20 0.42
PPARD Q03181 7/20 0.42
PPARA Q07869 7/20 0.42
HDAC11 Q96DB2 5/20 0.42
PTPN1 P18031 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TLR2 O60603 2/20 0.42
FABP4 P15090 2/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 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
SCHEMBL1831810 1.00 TDP1 (0.62) TDP1FFAR1CPT2TBXAS1TSHR
SCHEMBL1833933 1.00 TDP1 (0.62) TDP1FFAR1CPT2TBXAS1TSHR
SCHEMBL14360000 0.95 TDP1 (0.58) TDP1FFAR1CPT2TBXAS1TSHR
SCHEMBL27628078 0.95 TDP1 (0.58) TDP1FFAR1CPT2TBXAS1TSHR
SCHEMBL14359845 0.93 TDP1 (0.54) TDP1FFAR1CPT2TBXAS1TSHR
SCHEMBL7864001 0.91 GPR84 (0.58) TDP1FFAR1CPT2TSHRGPR84
SCHEMBL1116137 0.91 GPR84 (0.58) TDP1FFAR1CPT2TSHRGPR84
SCHEMBL3280282 0.91 TDP1 (0.54) TDP1FFAR1CPT2TBXAS1TSHR
SCHEMBL6696708 0.91 GPR84 (0.54) TDP1FFAR1CPT2TBXAS1TSHR
SCHEMBL1116131 0.91 GPR84 (0.58) TDP1FFAR1CPT2TSHRGPR84

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0988274-B1 CARBOXYLIC ACIDS AND DERIVATIVES THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYNDROMEX LTD (IL) 2009-05-20 EP claimed
EP-0988274-A4 CARBOXYLIC ACIDS AND DERIVATIVES THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM YISSUM RES DEV CO (IL) 2000-10-18 EP claimed
EP-0988274-A1 CARBOXYLIC ACIDS AND DERIVATIVES THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2000-03-29 EP claimed
WO-1998030530-A1 CARBOXYLIC ACIDS AND DERIVATIVES THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM YISSUM RESEARCH DEVELOPMENT CO. OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 1998-07-16 WO claimed
EP-2112134-B1 Carboxylic acids and derivatives thereof and pharmaceutical compositions containing them SYNDROMEX LTD (IL) 2013-10-30 EP disclosed
EP-2112134-A1 Carboxylic acids and derivatives thereof and pharmaceutical compositions containing them Syndromex Ltd. (IL) 2009-10-28 EP disclosed
EP-0988274-B1 CARBOXYLIC ACIDS AND DERIVATIVES THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYNDROMEX LTD (IL) 2009-05-20 EP 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
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
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
US-20040132818-A1 Carboxylic acids and derivatives thereof and pharmaceutical compositions containing them SYNDROMEX LTD. (IL) 2004-07-08 US 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-20020049345-A1 Carboxylic acids and derivatives thereof and pharmaceutical compositions containing them SYNDROMEX LTD. (IL) 2002-04-25 US disclosed
US-6284903-B1 TREATING HYPERLIPIDEMIA, OBESITY AND IMPAIRED GLUCOSE TOLERANCE/NONINSULIN DEPENDENT DIABETES MELLITUS WITHOUT ADVERSELY AFFECTING ENERGY METABOLISM YISSUM RESEARCH DEVELOPMENT CO. OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2001-09-04 US disclosed
EP-0988274-A4 CARBOXYLIC ACIDS AND DERIVATIVES THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM YISSUM RES DEV CO (IL) 2000-10-18 EP disclosed
EP-0988274-A1 CARBOXYLIC ACIDS AND DERIVATIVES THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2000-03-29 EP disclosed
WO-1998030530-A1 CARBOXYLIC ACIDS AND DERIVATIVES THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM YISSUM RESEARCH DEVELOPMENT CO. OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 1998-07-16 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 (7 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-20040132818-A1 Carboxylic acids and derivatives thereof and pharmaceutical compositions containing them CYP2F1, QPCT, CBR3 TDP1 4809/4885FFAR1 211/4885CPT2 1546/4885
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-20020049345-A1 Carboxylic acids and derivatives thereof and pharmaceutical compositions containing them CYP2F1, QPCT, CYP2D6 TDP1 4807/4885FFAR1 200/4885CPT2 1580/4885
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.