SCHEMBL5211872

SCHEMBL5211872

COc1ccc(C2CCC(C)(C)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.50
ESR2 Q92731 1/20 0.46
KDM1A O60341 2/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
ALDH1A1 P00352 4/20 0.42
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL1515026 0.83 DRD2 (0.59) DRD2KDM1AMAOAMAOBALDH1A1
SCHEMBL21964256 0.83 DRD2 (0.49) DRD2ESR2KDM1AMAOAMAOB
SCHEMBL10599941 0.80 DDB1 (0.46) DRD2KDM1AMAOAMAOBALDH1A1
SCHEMBL9648294 0.80 DRD2 (0.54) DRD2ESR2KDM1AMAOAMAOB
SCHEMBL9648301 0.80 DRD2 (0.54) DRD2ESR2KDM1AMAOAMAOB
SCHEMBL1515040 0.79 DRD2 (0.56) DRD2KDM1AMAOAMAOBALDH1A1
SCHEMBL2095118 0.79 ALDH1A1 (0.56) DRD2KDM1AMAOAMAOBALDH1A1
SCHEMBL13906280 0.79 IDO1 (0.41) ESR2ALDH1A1KMT2AMAPT
SCHEMBL1506576 0.79 POLB (0.48) DRD2KDM1AMAOAMAOBALDH1A1
SCHEMBL16440293 0.79 DRD2 (0.45) DRD2ESR2KDM1AMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455638-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-20110118282-A1 Soluble Guanylate Cyclase Activators MERCK SHARP & DOHME LLC 2011-05-19 US disclosed
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 (2 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 DRD2 893/4885ESR2 245/4885KDM1A 2983/4885
US-20110118282-A1 Soluble Guanylate Cyclase Activators GUCY1B1, GUCY1A2, GUCY1A1 DRD2 2838/4885ESR2 823/4885KDM1A 2698/4885

“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.