SCHEMBL5527618

SCHEMBL5527618

CC(C)(CCSCCCCSCCC(C)(C)CC(=O)O)CC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BHMT Q93088 5/20 0.62
TDP1 Q9NUW8 2/20 0.59
FFAR1 O14842 1/20 0.59
CPT2 P23786 1/20 0.59
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 2/20 0.39
GMNN O75496 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
CYP2C9 P11712 1/20 0.39
BLM P54132 1/20 0.39
HMGCR P04035 1/20 0.39
CHRM1 P11229 1/20 0.39
TBXA2R P21731 1/20 0.39
ADRA1A P35348 1/20 0.39
TSHR P16473 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL6346178 0.96 BHMT (0.62) BHMTTDP1FFAR1CPT2KDM4E
SCHEMBL6344185 0.92 TDP1 (0.72) BHMTTDP1FFAR1CPT2KDM4E
SCHEMBL6353309 0.91 BHMT (0.66) BHMTTDP1FFAR1CPT2KDM4E
SCHEMBL5525271 0.90 TDP1 (0.76) BHMTTDP1FFAR1CPT2KDM4E
SCHEMBL6346089 0.89 TDP1 (0.68) BHMTTDP1FFAR1CPT2KDM4E
SCHEMBL6693300 0.88 TDP1 (0.65) BHMTTDP1FFAR1CPT2KDM4E
SCHEMBL6352767 0.83 TDP1 (0.60) BHMTTDP1FFAR1CPT2KDM4E
SCHEMBL6343345 0.83 TDP1 (0.60) BHMTTDP1FFAR1CPT2KDM4E
SCHEMBL6348732 0.82 FFAR1 (0.63) BHMTTDP1FFAR1CPT2KDM4E
SCHEMBL6342957 0.81 TDP1 (0.57) BHMTTDP1FFAR1CPT2KDM4E

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
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

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 BHMT 3889/4885TDP1 2229/4885FFAR1 144/4885
US-20070203212-A1 METHOD OF TREATING OSTEOARTHRITIS SYVN1, MMP13, TNF BHMT 2373/4885TDP1 3613/4885FFAR1 1371/4885
US-20050026979-A1 Methods for treating inflammation and inflammation-associated diseases with a statin and ether HMGCR, CXCL8, DHCR7 BHMT 967/4885TDP1 3202/4885FFAR1 265/4885
US-20050004196-A1 Pharmaceutical compositions including an ether and selective COX-2 inhibitor and methods for using such PTGES2, PTGES, PTGER2 BHMT 3901/4885TDP1 4216/4885FFAR1 449/4885
US-20040167229-A1 Method of lowering CRP and reducing systemic inflammation ALB, TTR, IL6 BHMT 1783/4885TDP1 3787/4885FFAR1 96/4885

“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.