SCHEMBL5609688

SCHEMBL5609688

[O]C(Cc1ccccc1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
HPGD P15428 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
EPHX2 P34913 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
P2RX7 Q99572 2/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
OPRK1 P41145 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HSD11B1 P28845 1/20 0.39

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
SCHEMBL5609707 0.80 NPC1 (0.49) ALDH1A1TSHRHPGDEPHX2SMN1; SMN2
SCHEMBL5609852 0.79 EPHX2 (0.43) LMNAALDH1A1TSHRHPGDCYP2D6
SCHEMBL5609690 0.79 EPHX2 (0.47) LMNAALDH1A1TSHRHPGDCYP2D6
SCHEMBL5609847 0.79 EPHX2 (0.47) LMNAALDH1A1TSHRHPGDCYP2D6
SCHEMBL27558354 0.78 LMNA (0.47) LMNAALDH1A1TSHRHPGDCYP2D6
Hydrochloric Acid SCHEMBL1677933 0.75 OPRK1 (0.41) LMNAALDH1A1TSHRHPGDCYP2D6
SCHEMBL5610447 0.72 EPHX1 (0.45) ALDH1A1EPHX2P2RX7KMT2ASIGMAR1
Hydrochloric Acid SCHEMBL7107953 0.71 OPRK1 (0.41) LMNAALDH1A1TSHRHPGDCYP2D6
SCHEMBL28531066 0.69 SIGMAR1 (0.45) ALDH1A1EPHX2SMN1; SMN2KMT2ASIGMAR1
SCHEMBL12936872 0.68 HPGD (0.55) LMNAALDH1A1TSHRHPGDEPHX2

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 LMNA 3499/4885ALDH1A1 28/4885TSHR 1887/4885
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 LMNA 3499/4885ALDH1A1 28/4885TSHR 1887/4885
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 LMNA 1516/4885ALDH1A1 2128/4885TSHR 899/4885
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 LMNA 1516/4885ALDH1A1 2128/4885TSHR 899/4885

“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.