SCHEMBL2991171

SCHEMBL2991171

CCOC(=O)CC(C)(C)CCCCCCCCCCC(C)(C)CC(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.54
FFAR1 O14842 1/20 0.54
CPT2 P23786 1/20 0.54
CYP4F2 P78329 2/20 0.47
CYP4A11 Q02928 2/20 0.47
GAA P10253 2/20 0.44
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
HTT P42858 1/20 0.42
ALDH1A1 P00352 4/20 0.41
TRPA1 O75762 1/20 0.41
CYP1A2 P05177 1/20 0.41
THRB P10828 1/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL15012601 1.00 TDP1 (0.54) TDP1FFAR1CPT2CYP4F2CYP4A11
SCHEMBL27628082 0.94 TDP1 (0.48) TDP1FFAR1CPT2CYP4F2CYP4A11
SCHEMBL27628076 0.94 TDP1 (0.48) TDP1FFAR1CPT2CYP4F2CYP4A11
SCHEMBL19861329 0.94 FFAR1 (0.48) TDP1FFAR1CPT2CYP4F2CYP4A11
SCHEMBL20457453 0.94 FFAR1 (0.48) TDP1FFAR1CPT2CYP4F2CYP4A11
SCHEMBL27628192 0.94 TDP1 (0.48) TDP1FFAR1CPT2CYP4F2CYP4A11
SCHEMBL16305046 0.94 FFAR1 (0.48) TDP1FFAR1CPT2CYP4F2CYP4A11
SCHEMBL27608890 0.94 TDP1 (0.48) TDP1FFAR1CPT2CYP4F2CYP4A11
SCHEMBL16305049 0.94 FFAR1 (0.48) TDP1FFAR1CPT2CYP4F2CYP4A11
SCHEMBL2991062 0.93 FFAR1 (0.68) TDP1FFAR1CPT2CYP4F2CYP4A11

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 23 patents — showing the first 20. 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-10479752-B2 Deuterated tetramethyl dioic acids, compositions comprising them and uses thereof SYNDROMEX LTD. (IL) 2019-11-19 US disclosed
EP-2787986-B1 DEUTERATED TETRAMETHYL DIOIC ACIDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF SYNDROMEX LTD (IL) 2017-10-18 EP disclosed
US-20140371314-A1 Deuterated Tetramethyl Dioic Acids, Compositions Comprising Them And Uses Thereof SYNDROMEX LTD. (IL) 2014-12-18 US disclosed
US-20140371314-A1 Deuterated Tetramethyl Dioic Acids, Compositions Comprising Them And Uses Thereof SYNDROMEX LTD. (IL) 2014-12-18 US disclosed
EP-2787986-A1 DEUTERATED TETRAMETHYL DIOIC ACIDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Syndromex Ltd. (IL) 2014-10-15 EP disclosed
WO-2013084237-A1 DEUTERATED TETRAMETHYL DIOIC ACIDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF SYNDROMEX LTD. (IL) 2013-06-13 WO disclosed
US-7777071-B2 Production of carnitine conjugate intermediates SSV THERAPEUTICS, INC. (US) 2010-08-17 US disclosed
US-20090012160-A1 Carnitine Conjugates As Dual Prodrugs, Methods Of Production And Uses Thereof SSV THERAPEUTICS, INC. 2009-01-08 US disclosed
WO-2008018877-A1 CARNITINE CONJUGATES AS DUAL PRODRUGS, METHODS OF PRODUCTION AND USES THEREOF SSV THERAPEUTICS, INC. (US) 2008-02-14 WO 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
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
WO-2004017952-A1 METHOD OF TREATING OSTEOARTHRITIS WARNER-LAMBERT COMPANY LLC (US) 2004-03-04 WO 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 (6 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-20090012160-A1 Carnitine Conjugates As Dual Prodrugs, Methods Of Production And Uses Thereof CPT1B, CRAT, CPT2 TDP1 2577/4885FFAR1 303/4885CPT2 3/4885
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-20140371314-A1 Deuterated Tetramethyl Dioic Acids, Compositions Comprising Them And Uses Thereof CYP27A1, GOT2, TXN2 TDP1 1615/4885FFAR1 515/4885CPT2 44/4885
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-10479752-B2 Deuterated tetramethyl dioic acids, compositions comprising them and uses thereof CYP27A1, GOT2, TXN2 TDP1 1615/4885FFAR1 515/4885CPT2 44/4885
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.