SCHEMBL5609945

SCHEMBL5609945

CC(=O)[CH]Cc1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
ACP3 P15309 1/20 0.47
MTNR1A P48039 2/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2D6 P10635 1/20 0.46
SIRT5 Q9NXA8 1/20 0.46
ATM Q13315 1/20 0.45
CTNNB1 P35222 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 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
SCHEMBL10389881 0.82 TDP1 (0.53) TDP1ACP3MTNR1ACYP1A2CYP2C19
SCHEMBL10391123 0.81 TDP1 (0.49) TDP1ACP3MTNR1ACYP1A2CYP2C19
SCHEMBL5609958 0.80 MTNR1A (0.52) TDP1ACP3MTNR1ACYP1A2SIRT5
Acetic Acid SCHEMBL27930639 0.79 TDP1 (0.54) TDP1ACP3MTNR1ACYP1A2CYP2C19
SCHEMBL17595169 0.78 TDP1 (0.53) TDP1ACP3MTNR1ACYP1A2CYP2C19
SCHEMBL3682565 0.78 XPO1 (0.51) TDP1ACP3MTNR1ACYP1A2CYP2C19
SCHEMBL8600665 0.77 MTNR1A (0.48) TDP1ACP3MTNR1ACYP1A2CYP2C19
SCHEMBL6708221 0.77 TDP1 (0.47) TDP1ACP3MTNR1ACYP1A2CYP2C19
SCHEMBL266575 0.76 TDP1 (0.69) TDP1ACP3CYP1A2CYP2C19CYP2D6
Acetic Acid SCHEMBL5802343 0.76 TDP1 (0.63) TDP1ACP3MTNR1ACYP1A2CYP2C19

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 TDP1 4444/4885ACP3 2842/4885MTNR1A 886/4885
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 TDP1 4444/4885ACP3 2842/4885MTNR1A 886/4885
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 TDP1 4798/4885ACP3 1010/4885MTNR1A 898/4885
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 TDP1 4798/4885ACP3 1010/4885MTNR1A 898/4885

“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.