SCHEMBL1439243

SCHEMBL1439243

COC(=O)C1CC(C)CCC1C(C)C

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.64
TRPM8 Q7Z2W7 5/20 0.56
TRPA1 O75762 2/20 0.48
TRPV1 Q8NER1 6/20 0.45
CYP3A4 P08684 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL13043160 1.00 EPHX1 (0.64) EPHX1TRPM8TRPA1TRPV1CYP3A4
SCHEMBL21350183 1.00 EPHX1 (0.64) EPHX1TRPM8TRPA1TRPV1CYP3A4
SCHEMBL14072926 0.87 EPHX1 (0.48) EPHX1TRPM8CYP3A4CYP1A2CYP2D6
SCHEMBL14072930 0.87 EPHX1 (0.48) EPHX1TRPM8CYP3A4CYP1A2CYP2D6
SCHEMBL14510042 0.85 EPHX1 (0.44) EPHX1TRPM8CYP3A4CYP1A2CYP2D6
SCHEMBL6923690 0.84 EPHX1 (0.62) EPHX1TRPM8TRPA1TRPV1
SCHEMBL1238085 0.84 EPHX1 (0.62) EPHX1TRPM8TRPA1TRPV1
SCHEMBL1439241 0.84 EPHX1 (0.62) EPHX1TRPM8TRPA1TRPV1
SCHEMBL10034576 0.83 EPHX1 (0.75) EPHX1TRPM8TRPA1TRPV1
SCHEMBL6128506 0.83 EPHX1 (0.75) EPHX1TRPM8TRPA1TRPV1

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 72 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5491167-A INHIBITORS OF CHOLESTEROL BIOSYNTHESIS SANKYO COMPANY, LIMITED (JP) 1996-02-13 US claimed
EP-0050263-A1 Cationic dyes, their preparation and their use in the dyeing of cationically dyeable fibres and paper BAYER AG (DE) 1982-04-28 EP claimed
CN-107532063-A Methyl menthol derivative and the cooling agent composition containing it 高砂香料工业株式会社 2018-01-02 CN disclosed
US-20130023504-A1 Modulation of Prostaglandin/Cyclooxygenase Metabolic Pathways HUNTER-FLEMING LIMITED (GB) 2013-01-24 US disclosed
EP-1848426-B1 TRICYCLIC CYTOPROTECTIVE COMPOUNDS HUNTER FLEMING LTD (GB) 2012-08-01 EP disclosed
EP-2097079-B1 MODULATION OF PROSTAGLANDIN/CYCLOOXYGENASE METABOLIC PATHWAYS HUNTER FLEMING LTD (GB) 2012-06-27 EP disclosed
WO-2008065408-A9 MODULATION OF PROSTAGLANDIN/CYCLOOXYGENASE METABOLIC PATHWAYS HUNTER-FLEMING LIMITED (GB) 2011-03-03 WO disclosed
US-20100137270-A1 MODULATION OF PROSTAGLANDIN/CYCLOOXYGENASE METABOLIC PATHWAYS HUNTER-FLEMING LIMITED (GB) 2010-06-03 US disclosed
EP-2147673-A1 Modulation of prostaglandin/cyclooxygenase metabolic pathways Hunter-Fleming Limited (GB) 2010-01-27 EP disclosed
US-20090259043-A1 TRICYCLIC CYTOPROTECTIVE COMPOUNDS HUNTER-FLEMING LIMITED (GB) 2009-10-15 US disclosed
EP-2097079-A2 MODULATION OF PROSTAGLANDIN/CYCLOOXYGENASE METABOLIC PATHWAYS Hunter-Fleming Limited (GB) 2009-09-09 EP disclosed
EP-0560613-A1 Antimicrobial carbapenem derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1993-09-15 EP disclosed
US-5242914-A 2-(heterocyclylthio) carbapenem derivatives, their preparation and their use as antibiotics SANKYO COMPANY, LIMITED (JP) 1993-09-07 US disclosed
EP-0536936-A1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use Sankyo Company Limited (JP) 1993-04-14 EP disclosed
EP-0518558-A1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics Sankyo Company Limited (JP) 1992-12-16 EP disclosed
US-5104867-A 2-(HETEROCYCLYLTHIO)CARBAPENEM DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTIBIOTICS SANKYO COMPANY, LIMITED (JP) 1992-04-14 US disclosed
EP-0470686-A2 (Benzhydryloxyethylpiperidyl)aliphatic acid derivatives and their use in the treatment of allergies and asthma Sankyo Company Limited (JP) 1992-02-12 EP disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 EP disclosed
EP-0363223-A2 3-Aryloxymethyl-cephalosporin derivatives, their preparation and their medical use Sankyo Company Limited (JP) 1990-04-11 EP disclosed
EP-0337637-A1 2-(Heterocyclylthio)carbapenem derivatives their preparation and their use as antibiotics Sankyo Company Limited (JP) 1989-10-18 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 (3 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-20130023504-A1 Modulation of Prostaglandin/Cyclooxygenase Metabolic Pathways PTGES2, PTGES, PTGS2 EPHX1 490/4885TRPM8 3001/4885TRPA1 1640/4885
US-20100137270-A1 MODULATION OF PROSTAGLANDIN/CYCLOOXYGENASE METABOLIC PATHWAYS PTGES2, PTGES, PTGS2 EPHX1 490/4885TRPM8 3001/4885TRPA1 1640/4885
US-20090259043-A1 TRICYCLIC CYTOPROTECTIVE COMPOUNDS HCRTR1, CDR2, MSR1 EPHX1 2049/4885TRPM8 1235/4885TRPA1 1836/4885

“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.