SCHEMBL5609949

SCHEMBL5609949

CCC[CH]c1c(C)ccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
CYP2A6 P11509 4/20 0.47
CYP1A2 P05177 4/20 0.47
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
TDP1 Q9NUW8 3/20 0.42
GAA P10253 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 5/20 0.41
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 2/20 0.38
HPGD P15428 1/20 0.37
ERN1 O75460 1/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37

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
SCHEMBL1706021 0.87 CYP1A2 (0.52) TSHRCYP2A6CYP1A2GRIN2DGRIN3B
SCHEMBL5013832 0.82 CYP2A6 (0.39) TSHRCYP2A6CYP1A2GRIN2DGRIN3B
SCHEMBL1610694 0.79 NR1I2 (0.44) CYP2A6CYP1A2TDP1GAAL3MBTL1
SCHEMBL5012412 0.78 L3MBTL1 (0.39) TSHRCYP2A6CYP1A2TDP1GAA
SCHEMBL29458149 0.77 CYP2A6 (0.54) TSHRCYP2A6CYP1A2GRIN2DGRIN3B
SCHEMBL272576 0.77 CYP2A6 (0.54) TSHRCYP2A6CYP1A2GRIN2DGRIN3B
SCHEMBL8012260 0.77 CYP2A6 (0.58) TSHRCYP2A6CYP1A2GRIN2DGRIN3B
SCHEMBL5609953 0.76 ALDH1A1 (0.41) CYP1A2TDP1GAAL3MBTL1ALDH1A1
SCHEMBL29785159 0.76 CYP2A6 (0.52) TSHRCYP2A6CYP1A2GRIN2DGRIN3B
SCHEMBL821212 0.75 TSHR (0.56) TSHRCYP2A6CYP1A2GRIN2DGRIN3B

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 TSHR 1887/4885CYP2A6 374/4885CYP1A2 297/4885
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 TSHR 1887/4885CYP2A6 374/4885CYP1A2 297/4885
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 TSHR 899/4885CYP2A6 3649/4885CYP1A2 4073/4885
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 TSHR 899/4885CYP2A6 3649/4885CYP1A2 4073/4885

“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.