SCHEMBL5209994

SCHEMBL5209994

CCCc1cc(N2CCOCC2)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 4/20 0.51
PIK3CD O00329 2/20 0.49
PIK3CA P42336 2/20 0.49
PIK3CB P42338 2/20 0.49
PIK3CG P48736 2/20 0.49
MAPT P10636 5/20 0.47
PKM P14618 1/20 0.47
POLB P06746 1/20 0.45
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 5/20 0.44
HPGD P15428 3/20 0.44
CYP1A2 P05177 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
CDK1 P06493 1/20 0.43
CDK2 P24941 1/20 0.43
ERCC1 P07992 1/20 0.43
ERCC4 Q92889 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
SCHEMBL7327708 0.82 KHK (0.43) ALDH1A1HPGDALOX15
SCHEMBL15692557 0.82 LGMN (0.58) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1599425 0.78 PRKDC (0.61) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL11791151 0.77 PRKDC (0.65) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1911977 0.76 PRKDC (0.58) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL13061369 0.75 MAPT (0.52) MAPTPOLBKDM4EALDH1A1CYP1A2
SCHEMBL28105317 0.75 MAPT (0.46) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5063509 0.74 PRKDC (0.58) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2475418 0.74 PRKDC (0.58) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1600364 0.74 PRKDC (0.54) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194147-B1 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES MERCK & CO INC (US) 2007-01-10 EP disclosed
US-6465497-B2 SUBSTITUTED 5-ARYL-2,4-THIAZOLIDINEDIONES AND OXAZOLIDINEDIONES; AGONISTS OF PPAR (PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR); USEFUL TREATING DIABETES, HYPERGLYCEMIA, HYPERLIPIDEMIA, AND OBESITY MERCK & CO., INC. 2002-10-15 US disclosed
US-6380191-B1 FOR TREATMENT, CONTROL OR PREVENTION OF DIABETES, HYPERGLYCEMIA, HYPERLIPIDEMIA (INCLUDING HYPERCHOLESTEROLEMIA AND HYPERTRIGLYCERIDEMIA), ATHEROSCLEROSIS, OBESITY, VASCULAR RESTENOSIS MERCK & CO. INC. 2002-04-30 US disclosed
US-20020037911-A1 Substituted 5-aryl-2,4-thiazolidinediones and oxazolidinediones; agonists of PPAR (Peroxisome proliferator activated receptor); useful treating diabetes, hyperglycemia, hyperlipidemia, and obesity MERCK & CO., INC. 2002-03-28 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-20020037911-A1 Substituted 5-aryl-2,4-thiazolidinediones and oxazolidinediones; agonists of PPAR (Peroxisome proliferator activated receptor); useful treating diabetes, hyperglycemia, hyperlipidemia, and obesity PPARD, PPARA, PPARG PRKDC 2135/4885PIK3CD 458/4885PIK3CA 321/4885

“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.