SCHEMBL5531442

SCHEMBL5531442

COC(=O)C(Br)C(C)(C)CCCCCCCCCCC(C)(C)C(Br)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.43
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
TDP1 Q9NUW8 2/20 0.33
HTT P42858 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
FFAR1 O14842 1/20 0.33
CPT2 P23786 1/20 0.33
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
THRB P10828 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
SCHEMBL5531646 0.82 CYP4F2 (0.49) ZDHHC7CYP4F2CYP4A11TDP1HTT
SCHEMBL5523348 0.77 FFAR1 (0.41) CYP4F2CYP4A11CA2TDP1FFAR1
SCHEMBL11930737 0.76 ZDHHC7 (0.35) ZDHHC7CA1CA2SMN1; SMN2KMT2A
SCHEMBL5528316 0.76 CYP4F2 (0.38) ZDHHC7CYP4F2CYP4A11CA1CA2
SCHEMBL10802174 0.75 FFAR1 (0.35) CYP4F2CYP4A11TDP1FFAR1CPT2
SCHEMBL19188233 0.74 ZDHHC7 (0.34) ZDHHC7CA1CA2SMN1; SMN2
SCHEMBL11287379 0.73 SMN1; SMN2 (0.40) ZDHHC7CA1CA2SMN1; SMN2KMT2A
SCHEMBL30170510 0.73 SMN1; SMN2 (0.42) ZDHHC7CA1CA2SMN1; SMN2KMT2A
SCHEMBL28301320 0.73 SMN1; SMN2 (0.42) ZDHHC7CA1CA2SMN1; SMN2KMT2A
SCHEMBL20711064 0.73 ZDHHC7 (0.49) ZDHHC7CYP4F2CYP4A11CA1CA2

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 6 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
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
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-4689344-A ANTICHOLESTEROL AGENTS EPIS S.A. (CH) 1987-08-25 US 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 ZDHHC7 661/4885CYP4F2 1467/4885CYP4A11 3892/4885
US-20070203212-A1 METHOD OF TREATING OSTEOARTHRITIS SYVN1, MMP13, TNF ZDHHC7 362/4885CYP4F2 3452/4885CYP4A11 1902/4885
US-20050026979-A1 Methods for treating inflammation and inflammation-associated diseases with a statin and ether HMGCR, CXCL8, DHCR7 ZDHHC7 374/4885CYP4F2 387/4885CYP4A11 56/4885
US-20050004196-A1 Pharmaceutical compositions including an ether and selective COX-2 inhibitor and methods for using such PTGES2, PTGES, PTGER2 ZDHHC7 2637/4885CYP4F2 137/4885CYP4A11 236/4885
US-20040167229-A1 Method of lowering CRP and reducing systemic inflammation ALB, TTR, IL6 ZDHHC7 2999/4885CYP4F2 535/4885CYP4A11 325/4885

“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.