SCHEMBL7531481

SCHEMBL7531481

CCOC(=O)[C@H](Cc1ccc(OCCn2c3ccccc3c3cc(Br)ccc32)cc1)OCC

nearest known ligand 0.85

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 16/20 0.85
PPARG P37231 16/20 0.85
PPARD Q03181 2/20 0.69
TSPO P30536 2/20 0.45
PGR P06401 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CHRM1 P11229 1/20 0.43
TBXA2R P21731 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
PDE4A P27815 1/20 0.43
ADRA1A P35348 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL7531486 1.00 PPARA (0.85) PPARAPPARGPPARDTSPOPGR
SCHEMBL7536345 0.95 PPARA (0.83) PPARAPPARGPPARDPGRADORA3
SCHEMBL7528811 0.92 PPARG (1.00) PPARAPPARGPPARDPGRADORA3
SCHEMBL7856304 0.92 PPARG (1.00) PPARAPPARGPPARDPGRADORA3
SCHEMBL7527968 0.92 PPARG (0.82) PPARAPPARGPPARDPGRADORA3
SCHEMBL7527971 0.92 PPARG (0.82) PPARAPPARGPPARDPGRADORA3
SCHEMBL7524312 0.88 PPARA (0.71) PPARAPPARGPPARDTSPOPGR
SCHEMBL7524309 0.88 PPARA (0.71) PPARAPPARGPPARDTSPOPGR
SCHEMBL7533755 0.87 PPARA (1.00) PPARAPPARGPPARDPGRADORA3
SCHEMBL7845343 0.84 PPARG (0.83) PPARAPPARGPPARDTSPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6468996-B1 PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR ACTIVATORS; TREATMENT OF DIABETES AND OBESITY. NOVO NORDISK A/S (DK) 2002-10-22 US disclosed
US-20020115657-A1 Substituted hetero-polycyclic compounds as PPARalpha and PPARgamma JEPPESEN LONE (DK) 2002-08-22 US disclosed
US-20020111344-A1 Substituted hetero-polycyclic compounds as PPARalpha and PPARgamma activators JEPPESEN LONE (DK) 2002-08-15 US disclosed
US-20020103188-A1 Substituted hetero-polycyclic compounds as PPARalpha and PPARgamma activators JEPPESEN LONE (DK) 2002-08-01 US disclosed
EP-1123279-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2001-08-16 EP disclosed
WO-2000023425-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-04-27 WO 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 (3 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-20020103188-A1 Substituted hetero-polycyclic compounds as PPARalpha and PPARgamma activators PPARG, PPARA, PPARD PPARA 2/4885PPARG 1/4885PPARD 3/4885
US-20020115657-A1 Substituted hetero-polycyclic compounds as PPARalpha and PPARgamma PPARG, PPARA, PPARD PPARA 2/4885PPARG 1/4885PPARD 3/4885
US-20020111344-A1 Substituted hetero-polycyclic compounds as PPARalpha and PPARgamma activators PPARG, PPARA, PPARD PPARA 2/4885PPARG 1/4885PPARD 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.