SCHEMBL3928101

SCHEMBL3928101

COC(=O)C1CCCC(N(Cc2ccccc2)Cc2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
HPGD P15428 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MAPT P10636 1/20 0.46
HSD17B10 Q99714 1/20 0.46
USP2 O75604 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
ALOX12 P18054 1/20 0.44
HTT P42858 1/20 0.44
LTA4H P09960 1/20 0.42
MAPK1 P28482 1/20 0.41
AGER Q15109 3/20 0.40
MTNR1A P48039 1/20 0.40
FKBP1A P62942 1/20 0.40
HSD11B1 P28845 1/20 0.40
CPB1 P15086 1/20 0.40
DPP8 Q6V1X1 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
SCHEMBL19583040 1.00 ALDH1A1 (0.46) ALDH1A1HPGDNPSR1MAPTHSD17B10
SCHEMBL17723467 1.00 ALDH1A1 (0.46) ALDH1A1HPGDNPSR1MAPTHSD17B10
SCHEMBL1536103 0.93 ALDH1A1 (0.47) ALDH1A1HPGDNPSR1MAPTHSD17B10
SCHEMBL2342461 0.93 ALDH1A1 (0.47) ALDH1A1HPGDNPSR1MAPTHSD17B10
SCHEMBL1536115 0.93 ALDH1A1 (0.47) ALDH1A1HPGDNPSR1MAPTHSD17B10
SCHEMBL1536102 0.93 ALDH1A1 (0.47) ALDH1A1HPGDNPSR1MAPTHSD17B10
SCHEMBL31630375 0.93 ALDH1A1 (0.47) ALDH1A1HPGDNPSR1MAPTHSD17B10
SCHEMBL22821135 0.90 ALDH1A1 (0.46) ALDH1A1HPGDNPSR1MAPTHSD17B10
SCHEMBL16590857 0.90 ALDH1A1 (0.46) ALDH1A1HPGDNPSR1MAPTHSD17B10
SCHEMBL1543697 0.86 TSHR (0.47) ALDH1A1HPGDUSP2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598281-B2 Arylcycloakyl-substituted alkanoic acid derivatives useful as peroxisome proliferator-activated receptor (PPAR) ligands for the treatment of hyperlipidemia and diabetes SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-10-06 US disclosed
US-7598281-B2 Arylcycloakyl-substituted alkanoic acid derivatives useful as peroxisome proliferator-activated receptor (PPAR) ligands for the treatment of hyperlipidemia and diabetes SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-10-06 US disclosed
US-7598281-B2 Arylcycloakyl-substituted alkanoic acid derivatives useful as peroxisome proliferator-activated receptor (PPAR) ligands for the treatment of hyperlipidemia and diabetes SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-10-06 US disclosed
EP-1789403-B1 N-(PHENYL-OXAZOL-4-YLMETHOXYMETHYL)-CYCLOHEXYL.SUCCINIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS WHICH ARE USED AS PPAR-LIGANDS (PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS) FOR THE TREATMENT OF HYPERLIPIDAEMIE AND DIABETES SANOFI AVENTIS DEUTSCHLAND (DE) 2009-03-25 EP disclosed
EP-1789403-B1 N-(PHENYL-OXAZOL-4-YLMETHOXYMETHYL)-CYCLOHEXYL.SUCCINIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS WHICH ARE USED AS PPAR-LIGANDS (PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS) FOR THE TREATMENT OF HYPERLIPIDAEMIE AND DIABETES SANOFI AVENTIS DEUTSCHLAND (DE) 2009-03-25 EP disclosed
US-20070197605-A1 ARYLCYCLOAKYL-SUBSTITUTED ALKANOIC ACID DERIVATIVES USEFUL AS PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR (PPAR) LIGANDS FOR THE TREATMENT OF HYPERLIPIDEMIA AND DIABETES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-23 US disclosed
US-20070197605-A1 ARYLCYCLOAKYL-SUBSTITUTED ALKANOIC ACID DERIVATIVES USEFUL AS PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR (PPAR) LIGANDS FOR THE TREATMENT OF HYPERLIPIDEMIA AND DIABETES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-23 US disclosed
US-20070197605-A1 ARYLCYCLOAKYL-SUBSTITUTED ALKANOIC ACID DERIVATIVES USEFUL AS PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR (PPAR) LIGANDS FOR THE TREATMENT OF HYPERLIPIDEMIA AND DIABETES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-23 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-20070197605-A1 ARYLCYCLOAKYL-SUBSTITUTED ALKANOIC ACID DERIVATIVES USEFUL AS PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR (PPAR) LIGANDS FOR THE TREATMENT OF HYPERLIPIDEMIA AND DIABETES PPARA, PPARG, GPR119 ALDH1A1 284/4885HPGD 1501/4885NPSR1 1259/4885

“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.