SCHEMBL13440568

SCHEMBL13440568

CCc1ccc(OCCCOc2ccc(OCC(=O)O)cc2)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.52
ALDH1A1 P00352 6/20 0.52
HPGD P15428 5/20 0.52
MAPT P10636 5/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
PPARD Q03181 6/20 0.48
PPARG P37231 5/20 0.48
PPARA Q07869 4/20 0.48
POLB P06746 2/20 0.47
LMNA P02545 2/20 0.44
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
NFKB1 P19838 1/20 0.42
BLM P54132 1/20 0.42
PLA2G4B P0C869 1/20 0.42

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
SCHEMBL13637204 0.92 LTB4R (0.47) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL13637196 0.87 KDM4E (0.53) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL13440569 0.85 KDM4E (0.51) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL3593824 0.85 PPARG (0.51) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL13637208 0.81 LTB4R (0.44) KDM4EALDH1A1HPGDMAPTPPARD
SCHEMBL13407823 0.81 NPC1 (0.60) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL3577071 0.81 LTB4R (0.50) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL3581610 0.80 KDM4E (0.45) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL13441819 0.80 KDM4E (0.50) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL13637273 0.80 PPARD (0.48) KDM4EALDH1A1HPGDMAPTNPC1

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 1 patent. 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

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 1842/4885HPGD 526/4885

“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.