SCHEMBL1439686

SCHEMBL1439686

[CH2]OC(=O)OC1CC2CC(C1C)C2(C)C

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 17/20 0.50
CYP17A1 P05093 8/20 0.50
TDP1 Q9NUW8 1/20 0.40
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL1439304 0.83 CYP19A1 (0.50) CYP19A1CYP17A1TDP1SCN1ASCN2A
SCHEMBL11195088 0.81 CYP19A1 (0.53) CYP19A1CYP17A1TDP1SCN1ASCN2A
SCHEMBL1439303 0.81 CYP19A1 (0.48) CYP19A1CYP17A1TDP1SCN1ASCN2A
SCHEMBL4598002 0.79 CYP19A1 (0.49) CYP19A1CYP17A1TDP1SCN1ASCN2A
SCHEMBL4597731 0.79 CYP19A1 (0.49) CYP19A1CYP17A1TDP1SCN1ASCN2A
SCHEMBL17213197 0.79 CYP19A1 (0.49) CYP19A1CYP17A1TDP1SCN1ASCN2A
SCHEMBL17213209 0.79 CYP19A1 (0.49) CYP19A1CYP17A1TDP1SCN1ASCN2A
SCHEMBL4585582 0.77 CYP19A1 (0.41) CYP19A1CYP17A1TDP1SCN1ASCN2A
SCHEMBL6404865 0.76 CYP19A1 (0.59) CYP19A1CYP17A1TDP1SCN1ASCN2A
SCHEMBL19050813 0.74 CYP19A1 (0.61) CYP19A1CYP17A1TDP1SCN1ASCN2A

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 70 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
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
US-20080146644-A1 Tricyclic Cytoprotective Compounds HUNTER-FLEMING LIMITED (GB) 2008-06-19 US disclosed
EP-0570245-A2 Octahydronaphthalene oxime derivatives for cholesterol biosynthesis inhibition, their preparation and use SANKYO COMPANY LIMITED (JP) 1993-11-18 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 (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-20080146644-A1 Tricyclic Cytoprotective Compounds HCRTR1, CDR2, MSR1 CYP19A1 3730/4885CYP17A1 3990/4885TDP1 2718/4885
US-20130023504-A1 Modulation of Prostaglandin/Cyclooxygenase Metabolic Pathways PTGES2, PTGES, PTGS2 CYP19A1 1369/4885CYP17A1 1843/4885TDP1 3064/4885
US-20100137270-A1 MODULATION OF PROSTAGLANDIN/CYCLOOXYGENASE METABOLIC PATHWAYS PTGES2, PTGES, PTGS2 CYP19A1 1369/4885CYP17A1 1843/4885TDP1 3064/4885
US-20090259043-A1 TRICYCLIC CYTOPROTECTIVE COMPOUNDS HCRTR1, CDR2, MSR1 CYP19A1 3730/4885CYP17A1 3990/4885TDP1 2718/4885

“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.