SCHEMBL5609958

SCHEMBL5609958

CC(=O)[CH]CCCc1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.52
TDP1 Q9NUW8 1/20 0.47
MCL1 Q07820 3/20 0.46
NQO2 P16083 1/20 0.44
ACP3 P15309 1/20 0.42
CDYL Q9Y232 1/20 0.42
CYP1A2 P05177 1/20 0.42
SIRT5 Q9NXA8 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL5609945 0.80 TDP1 (0.53) MTNR1ATDP1ACP3CYP1A2SIRT5
SCHEMBL5609954 0.78 SIGMAR1 (0.50) MTNR1ANQO2CYP1A2SIGMAR1
SCHEMBL143128 0.78 MTNR1A (0.47) MTNR1ATDP1MCL1NQO2ACP3
SCHEMBL9216856 0.78 CYP1A2 (0.48) MTNR1ATDP1MCL1NQO2ACP3
SCHEMBL16289223 0.77 TDP1 (0.50) MTNR1ATDP1MCL1CYP1A2
SCHEMBL30424192 0.76 SIGMAR1 (0.48) MTNR1ANQO2CYP1A2SIGMAR1
SCHEMBL4322750 0.76 MTNR1A (0.45) MTNR1AMCL1NQO2CYP1A2SIGMAR1
SCHEMBL5830948 0.75 GPR84 (0.59) MTNR1ATDP1MCL1NQO2ACP3
SCHEMBL9800436 0.75 CYP1A2 (0.58) MTNR1ATDP1MCL1NQO2ACP3
SCHEMBL4070601 0.75 IAPP (0.56) MTNR1ATDP1NQO2ACP3CDYL

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 MTNR1A 886/4885TDP1 4444/4885MCL1 3731/4885
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 MTNR1A 886/4885TDP1 4444/4885MCL1 3731/4885
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 MTNR1A 898/4885TDP1 4798/4885MCL1 1471/4885
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 MTNR1A 898/4885TDP1 4798/4885MCL1 1471/4885

“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.