SCHEMBL7531569

SCHEMBL7531569

CCCO[C@@H](Cc1ccc(CCCn2c3ccccc3c3ccncc32)cc1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.69
PPARA Q07869 9/20 0.69
PPARD Q03181 2/20 0.55
MAOA P21397 4/20 0.43
MAOB P27338 4/20 0.43
ACHE P22303 1/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
CYP2D6 P10635 1/20 0.41
CNR2 P34972 2/20 0.41
PLA2G2A P14555 1/20 0.39
HDAC3 O15379 1/20 0.39

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
SCHEMBL7528259 0.93 PPARA (0.77) PPARGPPARAPPARDMAOAMAOB
SCHEMBL7532734 0.91 PPARG (0.80) PPARGPPARAPPARD
SCHEMBL7530883 0.89 PPARG (0.63) PPARGPPARAPPARDMAOAMAOB
SCHEMBL7533389 0.89 PPARG (0.62) PPARGPPARAPPARDMAOAMAOB
SCHEMBL7527487 0.88 PPARG (0.88) PPARGPPARAPPARD
SCHEMBL7530015 0.86 PPARG (0.58) PPARGPPARAPPARDPLA2G2A
SCHEMBL7528757 0.84 PPARG (0.91) PPARGPPARAPPARD
SCHEMBL7852911 0.83 PPARA (0.72) PPARGPPARAPPARD
SCHEMBL7532542 0.83 PPARA (0.72) PPARGPPARAPPARD
SCHEMBL6753153 0.82 PPARG (0.49) PPARGPPARAPPARD

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 10 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 claimed
US-20020115657-A1 Substituted hetero-polycyclic compounds as PPARalpha and PPARgamma JEPPESEN LONE (DK) 2002-08-22 US claimed
US-20020111344-A1 Substituted hetero-polycyclic compounds as PPARalpha and PPARgamma activators JEPPESEN LONE (DK) 2002-08-15 US claimed
US-20020103188-A1 Substituted hetero-polycyclic compounds as PPARalpha and PPARgamma activators JEPPESEN LONE (DK) 2002-08-01 US claimed
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 PPARG 1/4885PPARA 2/4885PPARD 3/4885
US-20020115657-A1 Substituted hetero-polycyclic compounds as PPARalpha and PPARgamma PPARG, PPARA, PPARD PPARG 1/4885PPARA 2/4885PPARD 3/4885
US-20020111344-A1 Substituted hetero-polycyclic compounds as PPARalpha and PPARgamma activators PPARG, PPARA, PPARD PPARG 1/4885PPARA 2/4885PPARD 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.