SCHEMBL5528347

SCHEMBL5528347

CC(C)OC(=O)C(Cl)C(C)(C)CCCCCCCCCCC(C)(C)C(Cl)C(=O)OC(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
LMNA P02545 3/20 0.35
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
FFAR1 O14842 1/20 0.31
CPT2 P23786 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31
HCAR2 Q8TDS4 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
SCHEMBL5528316 0.81 CYP4F2 (0.38) CYP4F2CYP4A11LMNATDP1FFAR1
SCHEMBL5528351 0.75 CYP4F2 (0.35) CYP4F2CYP4A11TDP1FFAR1CPT2
SCHEMBL10762159 0.74 FFAR1 (0.37) CYP4F2CYP4A11TDP1FFAR1CPT2
SCHEMBL5524336 0.74 FFAR1 (0.41) CYP4F2CYP4A11LMNATDP1FFAR1
Hydrochloric Acid SCHEMBL10765310 0.72 FFAR1 (0.40) CYP4F2CYP4A11LMNATDP1FFAR1
Hydrochloric Acid SCHEMBL10762171 0.72 FFAR1 (0.40) CYP4F2CYP4A11LMNATDP1FFAR1
SCHEMBL9620463 0.68 LMNA (0.39) LMNATSHRALDH1A1HCAR2
SCHEMBL10762165 0.68 FFAR1 (0.36) CYP4F2CYP4A11TDP1FFAR1CPT2
SCHEMBL8110277 0.68 GPR84 (0.42) FFAR1
SCHEMBL9620461 0.67 LMNA (0.38) CYP4F2CYP4A11LMNATSHRTDP1

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 CYP4F2 1467/4885CYP4A11 3892/4885LMNA 2558/4885
US-20070203212-A1 METHOD OF TREATING OSTEOARTHRITIS SYVN1, MMP13, TNF CYP4F2 3452/4885CYP4A11 1902/4885LMNA 3253/4885
US-20050026979-A1 Methods for treating inflammation and inflammation-associated diseases with a statin and ether HMGCR, CXCL8, DHCR7 CYP4F2 387/4885CYP4A11 56/4885LMNA 3342/4885
US-20050004196-A1 Pharmaceutical compositions including an ether and selective COX-2 inhibitor and methods for using such PTGES2, PTGES, PTGER2 CYP4F2 137/4885CYP4A11 236/4885LMNA 4689/4885
US-20040167229-A1 Method of lowering CRP and reducing systemic inflammation ALB, TTR, IL6 CYP4F2 535/4885CYP4A11 325/4885LMNA 4159/4885

“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.