SCHEMBL5529314

SCHEMBL5529314

CCC(CC)(CCCOCCCC(C)(C)C(=O)OC)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 4/20 0.35
CYP4A11 Q02928 4/20 0.35
PPARA Q07869 8/20 0.33
TTR P02766 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C8 P10632 1/20 0.32
CHRM1 P11229 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
ADRA1A P35348 1/20 0.32
PPARG P37231 1/20 0.32
HTR2B P41595 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLCO1B3 Q9NPD5 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CISD1 Q9NZ45 1/20 0.32
SLCO1B1 Q9Y6L6 1/20 0.32
ACLY P53396 1/20 0.31
ACACB O00763 1/20 0.30
ACACA Q13085 1/20 0.30

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
SCHEMBL27628219 0.86 CYP4F2 (0.34) CYP4F2CYP4A11
SCHEMBL6258518 0.83 CYP4F2 (0.39) CYP4F2CYP4A11PPARATTRCYP1A2
SCHEMBL5529576 0.83 ACLY (0.46) CYP4F2CYP4A11PPARATTRCYP1A2
SCHEMBL22016456 0.80 ACLY (0.46) CYP4F2CYP4A11PPARATTRCYP1A2
SCHEMBL2981249 0.79 CYP4F2 (0.44) CYP4F2CYP4A11CYP1A2TSHRACLY
SCHEMBL20375533 0.79 CYP4F2 (0.43) CYP4F2CYP4A11PPARATSHRTDP1
SCHEMBL27438732 0.79 ACLY (0.49) CYP4F2CYP4A11PPARATTRCYP1A2
SCHEMBL8057594 0.79 ACLY (0.49) CYP4F2CYP4A11PPARATTRCYP1A2
SCHEMBL5527551 0.78 CYP4F2 (0.46) CYP4F2CYP4A11TSHRTDP1ACLY
SCHEMBL6256870 0.78 CYP4F2 (0.42) CYP4F2CYP4A11TSHRACLYACACB

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 13 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-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-1572189-A1 METHOD OF LOWERING CRP AND REDUCING SYSTEMIC INFLAMMATION Warner-Lambert Company LLC (US) 2005-09-14 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-20050009903-A1 CB2-selective cannabinoid analogues CLEMSON UNIVERSITY 2005-01-13 US 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
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
WO-2004017952-A1 METHOD OF TREATING OSTEOARTHRITIS WARNER-LAMBERT COMPANY LLC (US) 2004-03-04 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 CYP4F2 1467/4885CYP4A11 3892/4885PPARA 273/4885
US-20050009903-A1 CB2-selective cannabinoid analogues CNR2, CNR1, GPR68 CYP4F2 3032/4885CYP4A11 508/4885PPARA 435/4885
US-20070203212-A1 METHOD OF TREATING OSTEOARTHRITIS SYVN1, MMP13, TNF CYP4F2 3452/4885CYP4A11 1902/4885PPARA 33/4885
US-20050026979-A1 Methods for treating inflammation and inflammation-associated diseases with a statin and ether HMGCR, CXCL8, DHCR7 CYP4F2 387/4885CYP4A11 56/4885PPARA 22/4885
US-20050004196-A1 Pharmaceutical compositions including an ether and selective COX-2 inhibitor and methods for using such PTGES2, PTGES, PTGER2 CYP4F2 137/4885CYP4A11 236/4885PPARA 224/4885
US-20040167229-A1 Method of lowering CRP and reducing systemic inflammation ALB, TTR, IL6 CYP4F2 535/4885CYP4A11 325/4885PPARA 364/4885

“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.