SCHEMBL2349464

SCHEMBL2349464

CCC(=O)CC(OC)OC

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
ALDH1A1 P00352 2/20 0.32
FFAR3 O14843 1/20 0.32
GAA P10253 2/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
NPC1 O15118 1/20 0.31
SOAT1 P35610 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL3238307 0.86 GAA (0.34) TDP1ALDH1A1GAAHTTRECQL
SCHEMBL11600655 0.80 ALDH1A1 (0.39) ALDH1A1FFAR3GAAHTTRECQL
SCHEMBL11480859 0.77 CYP2C19 (0.45) TDP1ALDH1A1GAAHTTRECQL
SCHEMBL10625547 0.77
SCHEMBL4483900 0.77 TDP1 (0.43) TDP1ALDH1A1FFAR3SOAT1
SCHEMBL19057078 0.77
SCHEMBL28378728 0.76 ALDH1A1 (0.38) ALDH1A1GAAHTTRECQLL3MBTL1
SCHEMBL2915579 0.75 GAA (0.37) GAAHTTRECQLNPC1L3MBTL1
SCHEMBL10211016 0.75 GAA (0.44) ALDH1A1GAAHTTRECQLL3MBTL1
SCHEMBL2910108 0.73 GAA (0.54) TDP1ALDH1A1GAAL3MBTL1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0251408-B1 NOVEL ANTI-INFLAMMATORY AGENTS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR REDUCING INFLAMMATION THE PROCTER & GAMBLE COMPANY (US) 1991-04-17 EP claimed
US-9422247-B2 Fe(III) complex compounds for the treatment and prophylaxis of iron deficiency symptoms and iron deficiency anemias VIFOR (INTERNATIONAL) AG (CH) 2016-08-23 US disclosed
US-9422247-B2 Fe(III) complex compounds for the treatment and prophylaxis of iron deficiency symptoms and iron deficiency anemias VIFOR (INTERNATIONAL) AG (CH) 2016-08-23 US disclosed
US-9422247-B2 Fe(III) complex compounds for the treatment and prophylaxis of iron deficiency symptoms and iron deficiency anemias VIFOR (INTERNATIONAL) AG (CH) 2016-08-23 US disclosed
EP-2691376-B1 FE(III) COMPLEXES FOR THE TREATMENT AND PROPHYLAXIS OF IRON DEFICIENCY SYMPTOMS AND IRON DEFICIENCY ANAEMIAS VIFOR INT AG (CH) 2015-12-09 EP disclosed
US-20140162994-A1 FE(III) COMPLEX COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF IRON DEFICIENCY SYMPTOMS AND IRON DEFICIENCY ANEMIAS VIFOR (INTERNATIONAL) AG (CH) 2014-06-12 US disclosed
US-20140162994-A1 FE(III) COMPLEX COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF IRON DEFICIENCY SYMPTOMS AND IRON DEFICIENCY ANEMIAS VIFOR (INTERNATIONAL) AG (CH) 2014-06-12 US disclosed
US-20140162994-A1 FE(III) COMPLEX COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF IRON DEFICIENCY SYMPTOMS AND IRON DEFICIENCY ANEMIAS VIFOR (INTERNATIONAL) AG (CH) 2014-06-12 US disclosed
EP-2691376-A1 FE(III) COMPLEXES FOR THE TREATMENT AND PROPHYLAXIS OF IRON DEFICIENCY SYMPTOMS AND IRON DEFICIENCY ANAEMIAS Vifor (International) AG (CH) 2014-02-05 EP disclosed
WO-2012130882-A1 FE(III) COMPLEXES FOR THE TREATMENT AND PROPHYLAXIS OF IRON DEFICIENCY SYMPTOMS AND IRON DEFICIENCY ANAEMIAS VIFOR (INTERNATIONAL) AG (CH) 2012-10-04 WO disclosed
EP-1601659-B1 PYRIMIDIN-2-ONE COMPOUNDS AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS ABBOTT GMBH & CO KG (DE) 2008-01-16 EP disclosed
EP-1826202-A1 Process for the preparation of furan compounds DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-08-29 EP disclosed
US-20070197806-A1 Process for the preparation of furan compounds DAICEL CHEMICAL INDUSTRIES, LTD. 2007-08-23 US disclosed
US-20060235004-A1 Pyrimidin-2-one compounds and their use as dopamine d3 receptor ligands ABBOT GMBH & CO. KG (DE) 2006-10-19 US disclosed
EP-1601659-A1 PYRIMIDIN-2-ONE COMPOUNDS AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS Abbott GmbH & Co. KG (DE) 2005-12-07 EP disclosed
WO-2004080981-A1 PYRIMIDIN-2-ONE COMPOUNDS AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS ABBOTT GMBH & CO. KG (DE) 2004-09-23 WO disclosed
US-4252946-A BACTERICIDES, FUNGICIDES, ANTIPROTOZOA AGENTS BURROUGHS WELLCOME CO. (US) 1981-02-24 US disclosed
US-4229456-A SUPPRESSION OF GASTRIC SECRETIONS MERCK & CO., INC. (US) 1980-10-21 US disclosed
US-4133885-A GASTRIC SECRETIONS INHIBITORS MERCK & CO., INC. (US) 1979-01-09 US disclosed
US-4113859-A ANTIBACTERIAL, ANTIPROTOZOAL, ANTIFUNGAL AGENTS BURROUGHS WELLCOME CO. (US) 1978-09-12 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 (3 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-20070197806-A1 Process for the preparation of furan compounds CBR1, CBR3, POR TDP1 4098/4885ALDH1A1 160/4885FFAR3 193/4885
US-20140162994-A1 FE(III) COMPLEX COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF IRON DEFICIENCY SYMPTOMS AND IRON DEFICIENCY ANEMIAS FECH, SDHB, SLC40A1 TDP1 4796/4885ALDH1A1 1539/4885FFAR3 2936/4885
US-20060235004-A1 Pyrimidin-2-one compounds and their use as dopamine d3 receptor ligands ADRB3, DRD3, OPRL1 TDP1 3665/4885ALDH1A1 1158/4885FFAR3 237/4885

“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.