SCHEMBL13440564

SCHEMBL13440564

CCOC(=O)Cc1ccc(OCCCOc2ccc(Cl)cc2-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.51
FFAR1 O14842 2/20 0.47
FFAR4 Q5NUL3 2/20 0.47
LTB4R Q15722 2/20 0.46
LTB4R2 Q9NPC1 2/20 0.46
TBXAS1 P24557 1/20 0.45
ESR1 P03372 1/20 0.45
MAPT P10636 1/20 0.45
PPARG P37231 3/20 0.44
PPARD Q03181 2/20 0.44
PPARA Q07869 2/20 0.44
SLC6A9 P48067 1/20 0.44
LTA4H P09960 6/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL13441375 0.87 PTGDR2 (0.61) PTGDR2FFAR1FFAR4LTB4RLTB4R2
SCHEMBL3582455 0.83 PTGDR2 (0.55) PTGDR2LTB4RLTB4R2
SCHEMBL13407843 0.83 GAA (0.55) TBXAS1MAPTPPARGALDH1A1
SCHEMBL13442129 0.83 TBXAS1 (0.46) LTB4RLTB4R2TBXAS1MAPTPPARG
SCHEMBL5109293 0.79 PTGER1 (0.68)
SCHEMBL13440809 0.78 THRA (0.50) PTGDR2FFAR1FFAR4LTB4RLTB4R2
SCHEMBL11566670 0.78 MAPT (0.58) TBXAS1MAPTLTA4H
SCHEMBL11566931 0.78 MAPT (0.58) TBXAS1MAPTLTA4H
SCHEMBL11362734 0.75 KDM4E (0.59) MAPTALDH1A1
SCHEMBL3583333 0.75 TBXAS1 (0.43) LTB4RLTB4R2TBXAS1MAPTPPARG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087468-A1 MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION METABOLEX, INC. (US) 2010-04-08 US disclosed
US-7622491-B2 Type 2 diabetes, atherosclerosis, cardiovascular disease, Syndrome X; carboxylic acids with dialkyldiether or thioether linking groups e.g. {4-[3-(2-Benzotriazol-2-yl-4-chloro-phenoxy)-propoxy]-phenyl}-acetic acid and {4-[3-(2-benzotriazol-2-yl-4-thiophen-2-yl-phenoxy)-propoxy]-phenyl}-acetic acid METABOLEX INC. (US) 2009-11-24 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 (1 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-20100087468-A1 MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION PPARG, PPARD, PPARA PTGDR2 449/4885FFAR1 8/4885FFAR4 7/4885

“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.