SCHEMBL13440569

SCHEMBL13440569

O=C(O)COc1ccc(OCCCOc2ccc(Br)cc2-n2nc3ccccc3n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
TDP1 Q9NUW8 3/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 3/20 0.51
NPC1 O15118 2/20 0.51
MAPT P10636 2/20 0.51
RAB9A P51151 2/20 0.51
PPARG P37231 3/20 0.47
PPARD Q03181 3/20 0.47
PPARA Q07869 2/20 0.47
POLB P06746 2/20 0.46
PTGDR2 Q9Y5Y4 5/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
FABP4 P15090 2/20 0.40
FABP3 P05413 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
SCHEMBL13441633 0.90 PPARG (0.46) KDM4ETDP1ALDH1A1HPGDNPC1
SCHEMBL13637196 0.87 KDM4E (0.53) KDM4ETDP1ALDH1A1HPGDNPC1
SCHEMBL3593824 0.87 PPARG (0.51) KDM4ETDP1ALDH1A1HPGDNPC1
SCHEMBL13440568 0.85 KDM4E (0.52) KDM4ETDP1ALDH1A1HPGDNPC1
SCHEMBL13441819 0.82 KDM4E (0.50) KDM4ETDP1ALDH1A1HPGDNPC1
SCHEMBL13637278 0.81 PPARD (0.47) KDM4ETDP1ALDH1A1HPGDNPC1
SCHEMBL13637277 0.81 KDM4E (0.46) KDM4ETDP1ALDH1A1HPGDNPC1
SCHEMBL13637276 0.80 PPARG (0.46) KDM4ETDP1ALDH1A1HPGDNPC1
SCHEMBL3587102 0.80 TDP1 (0.49) KDM4ETDP1ALDH1A1HPGDNPC1
SCHEMBL13637273 0.80 PPARD (0.48) KDM4ETDP1ALDH1A1HPGDNPC1

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 3867/4885TDP1 2712/4885ALDH1A1 1842/4885

“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.