SCHEMBL5609690

SCHEMBL5609690

OC(Cc1ccccc1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
OPRK1 P41145 1/20 0.44
HPGD P15428 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
P2RX7 Q99572 3/20 0.43
IDO1 P14902 1/20 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
TSHR P16473 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL5609688 0.79 LMNA (0.47) EPHX2ALDH1A1LMNASMN1; SMN2OPRK1
SCHEMBL5609852 0.79 EPHX2 (0.43) EPHX2ALDH1A1LMNASMN1; SMN2OPRK1
SCHEMBL5609847 0.79 EPHX2 (0.47) EPHX2ALDH1A1LMNASMN1; SMN2OPRK1
SCHEMBL5321565 0.78 OPRM1 (0.33) EPHX2ALDH1A1LMNASMN1; SMN2OPRK1
Hydrochloric Acid SCHEMBL1677933 0.75 OPRK1 (0.41) EPHX2ALDH1A1LMNASMN1; SMN2OPRK1
SCHEMBL27558354 0.75 LMNA (0.47) EPHX2ALDH1A1LMNASMN1; SMN2OPRK1
Hydrochloric Acid SCHEMBL7107953 0.74 OPRK1 (0.41) EPHX2ALDH1A1LMNASMN1; SMN2OPRK1
SCHEMBL11447336 0.72 EPHX1 (0.45) EPHX2ALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL17896177 0.70 EPHX2 (0.46) EPHX2ALDH1A1SMN1; SMN2OPRK1CYP2D6
SCHEMBL17424292 0.69 EPHX2 (0.43) EPHX2ALDH1A1SMN1; SMN2OPRK1P2RX7

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 EPHX2 1620/4885ALDH1A1 28/4885LMNA 3499/4885
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 EPHX2 1620/4885ALDH1A1 28/4885LMNA 3499/4885
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 EPHX2 3428/4885ALDH1A1 2128/4885LMNA 1516/4885
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 EPHX2 3428/4885ALDH1A1 2128/4885LMNA 1516/4885

“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.