SCHEMBL13440570

SCHEMBL13440570

COc1ccc(OCCCOc2ccc(OCC(=O)O)cc2)c(-n2bc3ccccc3n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 6/20 0.45
PPARG P37231 4/20 0.45
PPARA Q07869 3/20 0.45
F2 P00734 3/20 0.41
ELANE P08246 3/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 3/20 0.40
CYP1A2 P05177 2/20 0.40
MCL1 Q07820 2/20 0.40
FABP3 P05413 1/20 0.40
FABP4 P15090 1/20 0.40
CYP2C9 P11712 1/20 0.40
NFKB1 P19838 1/20 0.40
BLM P54132 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL13637196 0.84 KDM4E (0.53) PPARDPPARGPPARAF2ELANE
SCHEMBL3577071 0.74 LTB4R (0.50) PPARDPPARGPPARAMAPTKDM4E
SCHEMBL13440568 0.72 KDM4E (0.52) PPARDPPARGPPARALMNAMAPT
SCHEMBL13440569 0.72 KDM4E (0.51) PPARDPPARGPPARAMAPTCYP1A2
SCHEMBL3593824 0.72 PPARG (0.51) PPARDPPARGPPARAMAPTCYP1A2
SCHEMBL13441811 0.68 PPARG (0.47) PPARDPPARGPPARAMCL1TDP1
SCHEMBL13637276 0.68 PPARG (0.46) PPARDPPARGPPARALMNAMAPT
SCHEMBL13637273 0.67 PPARD (0.48) PPARDPPARGPPARALMNAMAPT
SCHEMBL13441819 0.67 KDM4E (0.50) PPARDPPARGPPARAMAPTCYP1A2
SCHEMBL13637278 0.67 PPARD (0.47) PPARDPPARGPPARALMNAMAPT

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 PPARD 2/4885PPARG 1/4885PPARA 3/4885

“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.