SCHEMBL5025927

SCHEMBL5025927

COc1cc(-c2nc(CCl)c(C)o2)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.53
ALDH1A1 P00352 6/20 0.53
HPGD P15428 5/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
GAA P10253 2/20 0.51
PDE4B Q07343 1/20 0.46
MAPT P10636 6/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
THRB P10828 2/20 0.46
MAPK1 P28482 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.45
HSD17B10 Q99714 4/20 0.44
GLA P06280 1/20 0.44
TSHR P16473 2/20 0.43
LMNA P02545 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
SCHEMBL12163682 0.84 POLB (0.55) KDM4EALDH1A1HPGDGAAPDE4B
SCHEMBL5025952 0.82 ALDH1A1 (0.48) KDM4EALDH1A1HPGDL3MBTL1PDE4B
SCHEMBL17595583 0.82 PDE4B (0.46) KDM4EALDH1A1HPGDGAAPDE4B
SCHEMBL12704717 0.80 KDM4E (0.61) KDM4EALDH1A1HPGDL3MBTL1GAA
SCHEMBL5024807 0.78 KDM4E (0.41) KDM4EALDH1A1HPGDGAAPDE4B
SCHEMBL5022215 0.76 SLC9A1 (0.42) KDM4EPDE4BMAPTMAPK1HSD17B10
SCHEMBL3538865 0.76 TARBP2 (0.53) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL12163678 0.75 PDE4B (0.54) KDM4EALDH1A1PDE4BMAPTMEN1
SCHEMBL5783310 0.75 KDM4E (0.57) KDM4EALDH1A1HPGDPDE4BMAPT
SCHEMBL2329392 0.74 ALDH1A1 (0.61) KDM4EALDH1A1HPGDL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100577660-C N-substituted-1H-indol-5-propionic acid compounds as PPAR agonists used for the treatment of diabetes HOFFMANN LA ROCHE 2010-01-06 CN disclosed
EP-1551814-B1 CHIRALE OXAZOLE-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS HOFFMANN LA ROCHE (CH) 2008-07-23 EP disclosed
US-7348349-B2 Oxazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-03-25 US disclosed
EP-1539746-B1 N-SUBSTITUTED-1H-INDOL-5-PROPIONIC ACID COMPOUNDS AS PPAR AGONISTS USEFUL FOR THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2006-11-15 EP disclosed
US-20050267180-A1 Novel oxazole derivatives BINGGELI ALFRED 2005-12-01 US disclosed
US-6969725-B2 Oxazole derivatives HOFFMAN-LA ROCHE INC. (US) 2005-11-29 US disclosed
CN-1681808-A N-substituted-1H-indol-5-propionic acid compounds as PPAR agonists useful for the treatment of diabetes HOFFMANN LA ROCHE (CH) 2005-10-12 CN disclosed
EP-1551814-A1 CHIRALE OXAZOLE-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-07-13 EP disclosed
EP-1539746-A1 N-SUBSTITUTED-1H-INDOL-5-PROPIONIC ACID COMPOUNDS AS PPAR AGONISTS USEFUL FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2005-06-15 EP disclosed
US-6890947-B2 Indolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2005-05-10 US disclosed
US-20040116487-A1 Novel oxazole derivatives HOFFMANN-LA ROCHE INC. 2004-06-17 US disclosed
WO-2004031162-A1 CHIRALE OXAZOLE-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-15 WO disclosed
WO-2004024726-A1 N-SUBSTITUTED-1H-INDOL-5-PROPIONIC ACID COMPOUNDS AS PPAR AGONISTS USEFUL FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2004-03-25 WO disclosed
US-20040053979-A1 Indolyl derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-03-18 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 (2 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-20040053979-A1 Indolyl derivatives UGT1A8, CYP2C8, UGT1A1 KDM4E 2287/4885ALDH1A1 54/4885HPGD 2382/4885
US-20050267180-A1 Novel oxazole derivatives NR1H3, NR1H2, PPARD KDM4E 4377/4885ALDH1A1 2575/4885HPGD 2702/4885

“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.