SCHEMBL5208280

SCHEMBL5208280

CCCc1cc(C2CCCCC2)ccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.52
ACMSD Q8TDX5 2/20 0.50
ALOX5 P09917 1/20 0.42
QDPR P09417 2/20 0.41
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
NUDT1 P36639 1/20 0.41
BACE1 P56817 1/20 0.41
PPARG P37231 2/20 0.40
HTR1D P28221 1/20 0.40
SLC2A1 P11166 1/20 0.39
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
CTSS P25774 2/20 0.38
CTSK P43235 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
NOS3 P29474 1/20 0.38

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
SCHEMBL18403459 0.92 ALOX5 (0.45) EPHX2ACMSDALOX5QDPRCNR1
SCHEMBL27809930 0.91 ACMSD (0.48) EPHX2ACMSDQDPRHDAC4HDAC2
SCHEMBL7737889 0.88 ACMSD (0.46) EPHX2ACMSDALOX5CNR1CNR2
SCHEMBL11161163 0.87 ACMSD (0.57) EPHX2ACMSDQDPRHDAC4HDAC2
SCHEMBL2720383 0.86 ESR2 (0.50) ALOX5CYP2D6
SCHEMBL8632434 0.84 EPHX2 (0.42) EPHX2ACMSDPPARG
SCHEMBL5210345 0.84 PPARG (0.42) EPHX2ACMSDALOX5QDPRPPARG
SCHEMBL5209202 0.83 PPARG (0.43) EPHX2ACMSDALOX5QDPRPPARG
SCHEMBL28541380 0.83 ACMSD (0.56) EPHX2ACMSDQDPRHDAC4HDAC2
SCHEMBL7524010 0.82 PPARG (0.44) EPHX2ACMSDALOX5QDPRHDAC2

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 7 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
EP-1194147-A4 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES MERCK & CO INC (US) 2002-10-09 EP 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
EP-1194147-A1 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES Merck & Co., Inc. (US) 2002-04-10 EP 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
WO-2000078313-A1 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES MERCK & CO., INC. (US) 2000-12-28 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 (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 EPHX2 2925/4885ACMSD 3109/4885ALOX5 526/4885

“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.