SCHEMBL6544693

SCHEMBL6544693

CC(=O)Oc1c(C)c[c]cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 2/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
PREP P48147 2/20 0.37
CELA1 Q9UNI1 1/20 0.37
MAPK1 P28482 1/20 0.36
ACHE P22303 2/20 0.35
BACE1 P56817 1/20 0.35
PTPN1 P18031 1/20 0.35
TOP1 P11387 1/20 0.33
LDHA P00338 1/20 0.33
LDHB P07195 1/20 0.33
AKR1B1 P15121 1/20 0.33

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
SCHEMBL482119 0.79 ELANE (0.38) ALDH1A1
SCHEMBL1452119 0.77 TOP1 (0.44) KDM4EHSD17B10ALDH1A1HPGDHTT
SCHEMBL2122997 0.76 CA2 (0.39) KDM4EHSD17B10ALDH1A1HPGDHTT
SCHEMBL482328 0.75 THRB (0.39)
SCHEMBL4503047 0.75 KDM4E (0.40) KDM4EHSD17B10ALDH1A1HPGDHTT
SCHEMBL3156904 0.74 KDM4E (0.52) KDM4EHSD17B10ALDH1A1HPGDHTT
SCHEMBL2059537 0.74 KDM4E (0.71) KDM4EHSD17B10ALDH1A1HPGDHTT
SCHEMBL7140477 0.74 TUBB4A (0.46) ALDH1A1HTTGAAMAPTPOLB
SCHEMBL8028983 0.74 ELANE (0.43)
SCHEMBL16265058 0.73 KDM4E (0.59) KDM4EHSD17B10ALDH1A1HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014121036-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-08-07 WO disclosed
US-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-08-07 US disclosed
EP-1022272-B1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS SANKYO CO (JP) 2004-05-26 EP disclosed
US-6432993-B1 BENZIMIDAZOLE OR IMIDAZO(4,5-B)PYRIDINE DERIVATES; IMMUNOMODULATORS; ALDOSE REDUCTASE AND LIPOXYGENASE INHIBITORS; DIABETES; PREVENTS LIPID PEROXIDATION; ANTILIPEMIC, HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 2002-08-13 US disclosed
EP-1022272-A1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS Sankyo Company Limited (JP) 2000-07-26 EP disclosed
EP-0472116-B1 Thienopyridine Derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-01-31 EP disclosed
EP-0481383-B1 Heterocyclic amine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-06-28 EP disclosed
US-5418239-A ACYLCOENZYME A:CHOLESTEROL ACYLTRANSFERASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-05-23 US disclosed
EP-0514546-B1 CHROMENE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-01-04 EP disclosed
US-5300646-A Intermediates for acylcoenzyme A:cholesterol acyltransferase inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-04-05 US disclosed
US-5278186-A Substituted with secondary amide TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-01-11 US disclosed
US-5264454-A Enzyme inhibitors, anticholesterol agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-11-23 US disclosed
US-5256782-A For anticholesterol agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-26 US disclosed
US-5198462-A Acyl Coenzyme A:Cholesterol Transferase Inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-03-30 US disclosed
EP-0514546-A1 CHROMENE DERIVATIVES, THEIR PRODUCTION AND USE. TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1992-11-25 EP disclosed
US-5143919-A Acyl-CoA:cholesterol acyltransferase inhibitors; anticholesterol agents; TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-09-01 US disclosed
EP-0481243-A1 Tricyclic heterocyclic compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1992-04-22 EP disclosed
EP-0481383-A1 Heterocyclic amine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1992-04-22 EP disclosed
EP-0472116-A1 Thienopyridine Derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1992-02-26 EP disclosed
WO-1991012249-A1 CHROMENE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-08-22 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-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SRD5A2, PPARD, SRD5A1 KDM4E 1467/4885HSD17B10 117/4885ALDH1A1 963/4885

“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.