SCHEMBL5609707

SCHEMBL5609707

[O]C(CCCc1ccccc1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
EPHX2 P34913 6/20 0.47
EPHX1 P07099 1/20 0.47
SIGMAR1 Q99720 5/20 0.46
P2RX7 Q99572 2/20 0.43
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 1/20 0.40
HSD11B1 P28845 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 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
SCHEMBL5610202 0.81 EPHX2 (0.47) NPC1RAB9AEPHX2EPHX1SIGMAR1
SCHEMBL5609688 0.80 LMNA (0.47) NPC1RAB9AEPHX2SIGMAR1P2RX7
SCHEMBL28060952 0.71 EPHX2 (0.57) NPC1RAB9AEPHX2EPHX1SIGMAR1
SCHEMBL27968951 0.70 NPC1 (0.44) NPC1RAB9AEPHX2EPHX1SIGMAR1
SCHEMBL5609891 0.69 NPC1 (0.49) NPC1RAB9AEPHX2EPHX1SIGMAR1
SCHEMBL3362927 0.68 EPHX2 (0.63) NPC1RAB9AEPHX2EPHX1SIGMAR1
SCHEMBL17424292 0.68 EPHX2 (0.43) NPC1RAB9AEPHX2EPHX1SIGMAR1
SCHEMBL16368663 0.68 EPHX2 (0.49) NPC1RAB9AEPHX2SIGMAR1P2RX7
SCHEMBL5610447 0.67 EPHX1 (0.45) EPHX2EPHX1SIGMAR1P2RX7ALDH1A1
SCHEMBL3241417 0.67 EPHX2 (0.60) NPC1RAB9AEPHX2EPHX1P2RX7

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 NPC1 2139/4885RAB9A 2079/4885EPHX2 1620/4885
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 NPC1 2139/4885RAB9A 2079/4885EPHX2 1620/4885
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 NPC1 981/4885RAB9A 3117/4885EPHX2 3428/4885
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 NPC1 981/4885RAB9A 3117/4885EPHX2 3428/4885

“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.