SCHEMBL5609898

SCHEMBL5609898

[CH2]CCC(c1ccccc1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.40
EPHX1 P07099 1/20 0.37
CYP2D6 P10635 1/20 0.37
EPHX2 P34913 4/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 1/20 0.35
HRH1 P35367 1/20 0.33
P2RX7 Q99572 1/20 0.33

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
SCHEMBL27779546 0.86 SIGMAR1 (0.42) SIGMAR1EPHX1EPHX2ALDH1A1SMN1; SMN2
SCHEMBL5610207 0.82 SIGMAR1 (0.40) SIGMAR1EPHX1CYP2D6EPHX2ALDH1A1
SCHEMBL7106803 0.75 SIGMAR1 (0.39) SIGMAR1EPHX1EPHX2ALDH1A1SMN1; SMN2
Dimethylamine SCHEMBL15938951 0.75 SIGMAR1 (0.40) SIGMAR1EPHX2ALDH1A1SMN1; SMN2HRH1
SCHEMBL15939017 0.74 SIGMAR1 (0.63) SIGMAR1CYP2D6ALDH1A1
Hydrochloric Acid SCHEMBL15939071 0.73 SIGMAR1 (0.37) SIGMAR1EPHX1EPHX2ALDH1A1SMN1; SMN2
SCHEMBL16352696 0.73 SIGMAR1 (0.64) SIGMAR1EPHX2
SCHEMBL13430176 0.73 SIGMAR1 (0.62) SIGMAR1ALDH1A1
SCHEMBL13430183 0.72 SIGMAR1 (0.63) SIGMAR1EPHX2
Hydrochloric Acid SCHEMBL15940315 0.72 SIGMAR1 (0.63) SIGMAR1EPHX2

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 12 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
CN-1208323-C Alpha-substituted carboxylic acid derivatives SANKYO CO (JP) 2005-06-29 CN 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
CN-1353694-A Alpha-substituted carboxylic acid derivatives SANKYO CO (JP) 2002-06-12 CN 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 SIGMAR1 950/4885EPHX1 2395/4885CYP2D6 601/4885
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 SIGMAR1 950/4885EPHX1 2395/4885CYP2D6 601/4885
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 SIGMAR1 3663/4885EPHX1 2426/4885CYP2D6 3704/4885
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 SIGMAR1 3663/4885EPHX1 2426/4885CYP2D6 3704/4885

“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.