SCHEMBL5609837

SCHEMBL5609837

[O]Cc1ccccc1C(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.57
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
ALDH1A1 P00352 3/20 0.52
CYP19A1 P11511 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
TSHR P16473 1/20 0.46
ATM Q13315 3/20 0.46
CDC25B P30305 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
SRD5A2 P31213 1/20 0.45
HSP90AA1 P07900 1/20 0.44
PKM P14618 1/20 0.44
CCR6 P51684 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TLR9 Q9NR96 1/20 0.44
NR4A1 P22736 1/20 0.44

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
SCHEMBL11036287 0.87 AKR1C3 (0.61) AKR1C3GAAMAPTALDH1A1CYP19A1
SCHEMBL28423359 0.85 AKR1C3 (0.59) AKR1C3GAAMAPTALDH1A1CYP19A1
SCHEMBL5610138 0.84 AKR1C3 (0.53) AKR1C3GAAMAPTALDH1A1CYP19A1
SCHEMBL29898649 0.83 AKR1C3 (0.57) AKR1C3GAAMAPTALDH1A1CYP19A1
SCHEMBL29881091 0.83 AKR1C3 (0.57) AKR1C3GAAMAPTALDH1A1CYP19A1
SCHEMBL417620 0.83 AKR1C3 (0.57) AKR1C3GAAMAPTALDH1A1CYP19A1
SCHEMBL723171 0.83 AKR1C3 (0.57) AKR1C3GAAMAPTALDH1A1CYP19A1
SCHEMBL7743246 0.82 AKR1C3 (0.55) AKR1C3GAAMAPTALDH1A1CYP19A1
SCHEMBL3244709 0.82 AKR1C3 (0.55) AKR1C3GAAMAPTALDH1A1CYP19A1
SCHEMBL13669734 0.82 AKR1C3 (0.55) AKR1C3GAAMAPTALDH1A1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199139-B2 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2007-04-03 US disclosed
EP-1354602-B1 MEDICINAL COMPOSITIONS CONTAINING DIURETIC AND INSULIN RESISTANCE-IMPROVING AGENT SANKYO CO (JP) 2006-10-04 EP disclosed
EP-1695716-A2 Medicinal compositions containing diuretics and insulin sensitizers Sankyo Company, Limited (JP) 2006-08-30 EP disclosed
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2005-12-29 US disclosed
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2004-03-18 US disclosed
US-20040002512-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2004-01-01 US disclosed
EP-1354602-A1 MEDICINAL COMPOSITIONS CONTAINING DIURETIC AND INSULIN RESISTANCE-IMPROVING AGENT Sankyo Company, Limited (JP) 2003-10-22 EP disclosed
US-6596751-B2 An insulin resistance improving agent, hypoglycemic agent, immunoregulatory agent, aldose reductase inhibitor, 5-lipoxygenase inhibitor, peroxidized lipid production suppressor, PPAR. activator, leukotriene antagonist, adipose SANKYO COMPANY LIMITED (JP) 2003-07-22 US disclosed
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-04-10 US disclosed
EP-1167357-A1 ALPHA-SUBSTITUTED CARBOXYLIC ACID DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP 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 (4 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-20040002512-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 AKR1C3 64/4885GAA 947/4885MAPT 4528/4885
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 AKR1C3 64/4885GAA 947/4885MAPT 4528/4885
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 AKR1C3 1129/4885GAA 818/4885MAPT 3817/4885
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 AKR1C3 1129/4885GAA 818/4885MAPT 3817/4885

“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.