SCHEMBL4490484

SCHEMBL4490484

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
CYP3A4 P08684 2/20 0.49
HSD17B10 Q99714 2/20 0.49
GMNN O75496 1/20 0.49
USP2 O75604 1/20 0.49
CYP1A2 P05177 1/20 0.49
POLB P06746 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
APEX1 P27695 1/20 0.49
CYP2C19 P33261 1/20 0.49
RECQL P46063 1/20 0.49
BLM P54132 1/20 0.49
ALDH1A1 P00352 2/20 0.47
HCAR2 Q8TDS4 1/20 0.44
FAAH O00519 2/20 0.38
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ATM Q13315 1/20 0.36

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
SCHEMBL4490574 1.00 MAPT (0.53) MAPTCYP3A4HSD17B10GMNNUSP2
SCHEMBL4500095 0.98 MAPT (0.51) MAPTCYP3A4HSD17B10GMNNUSP2
SCHEMBL4500098 0.98 MAPT (0.51) MAPTCYP3A4HSD17B10GMNNUSP2
SCHEMBL4473857 0.93 MAPT (0.47) MAPTCYP3A4HSD17B10GMNNUSP2
SCHEMBL4473859 0.93 MAPT (0.47) MAPTCYP3A4HSD17B10GMNNUSP2
SCHEMBL4194178 0.78 HCAR2 (0.50) MAPTCYP3A4HSD17B10ALDH1A1HCAR2
SCHEMBL4194175 0.78 HCAR2 (0.50) MAPTCYP3A4HSD17B10ALDH1A1HCAR2
SCHEMBL28499342 0.77 MAPT (0.68) MAPTCYP3A4HSD17B10USP2RECQL
SCHEMBL27263522 0.77 MAPT (0.68) MAPTCYP3A4HSD17B10USP2RECQL
SCHEMBL22100454 0.75 MAPT (0.85) MAPTCYP3A4HSD17B10ALDH1A1HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1539127-A1 METHOD OF TREATING OSTEOARTHRITIS WARNER-LAMBERT COMPANY LLC (US) 2005-06-15 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-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
WO-2004017952-A1 METHOD OF TREATING OSTEOARTHRITIS WARNER-LAMBERT COMPANY LLC (US) 2004-03-04 WO 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 (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-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 MAPT 3252/4885CYP3A4 2753/4885HSD17B10 3328/4885
US-20040132818-A1 Carboxylic acids and derivatives thereof and pharmaceutical compositions containing them CYP2F1, QPCT, CBR3 MAPT 3942/4885CYP3A4 16/4885HSD17B10 934/4885
US-20070203212-A1 METHOD OF TREATING OSTEOARTHRITIS SYVN1, MMP13, TNF MAPT 3942/4885CYP3A4 3532/4885HSD17B10 849/4885
US-20050026979-A1 Methods for treating inflammation and inflammation-associated diseases with a statin and ether HMGCR, CXCL8, DHCR7 MAPT 2625/4885CYP3A4 223/4885HSD17B10 162/4885
US-20020049345-A1 Carboxylic acids and derivatives thereof and pharmaceutical compositions containing them CYP2F1, QPCT, CYP2D6 MAPT 4005/4885CYP3A4 15/4885HSD17B10 909/4885
US-20040167229-A1 Method of lowering CRP and reducing systemic inflammation ALB, TTR, IL6 MAPT 3908/4885CYP3A4 406/4885HSD17B10 1572/4885

“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.