SCHEMBL13440566

SCHEMBL13440566

O=C(O)COc1ccc(OCCCOc2ncc(Cl)cc2-n2nc3ccccc3n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MCL1 Q07820 2/20 0.41
PPARD Q03181 4/20 0.40
PPARG P37231 3/20 0.40
FFAR1 O14842 2/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.39
ACACA Q13085 1/20 0.39
PPARA Q07869 1/20 0.39
MAP4K4 O95819 1/20 0.38
PTPN7 P35236 1/20 0.38
PLA2G4B P0C869 1/20 0.38
CYP1A2 P05177 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
SCHEMBL13637152 0.90 PPARG (0.45) KDM4EALDH1A1MAPTHPGDNPC1
SCHEMBL13637202 0.90 LTB4R (0.41) KDM4EALDH1A1MAPTHPGDNPC1
SCHEMBL13440840 0.89 PPARD (0.58) KDM4EALDH1A1MAPTHPGDNPC1
SCHEMBL13637205 0.85 PPARG (0.45) MAPTPPARDPPARGPPARACYP1A2
SCHEMBL13441377 0.84 PPARD (0.41) KDM4EALDH1A1MAPTHPGDNPC1
SCHEMBL3593824 0.84 PPARG (0.51) KDM4EALDH1A1MAPTHPGDNPC1
SCHEMBL13637275 0.81 PPARD (0.41) KDM4EALDH1A1MAPTHPGDNPC1
SCHEMBL13441819 0.81 KDM4E (0.50) KDM4EALDH1A1MAPTHPGDNPC1
SCHEMBL3587102 0.77 TDP1 (0.49) KDM4EALDH1A1MAPTHPGDNPC1
SCHEMBL13637196 0.75 KDM4E (0.53) KDM4EALDH1A1MAPTHPGDNPC1

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 KDM4E 3867/4885ALDH1A1 1842/4885MAPT 3021/4885

“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.