SCHEMBL3127776

SCHEMBL3127776

COC(=O)OC1CC(C)CCC1C(C)C

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.62
ALDH1A1 P00352 5/20 0.53
HPGD P15428 1/20 0.53
CYP19A1 P11511 2/20 0.52
TRPM8 Q7Z2W7 3/20 0.47
TRPA1 O75762 2/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
TSHR P16473 2/20 0.45
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
P2RX4 Q99571 1/20 0.45

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
SCHEMBL14355425 1.00 EPHX1 (0.62) EPHX1ALDH1A1HPGDCYP19A1TRPM8
SCHEMBL17407566 1.00 EPHX1 (0.62) EPHX1ALDH1A1HPGDCYP19A1TRPM8
SCHEMBL14616021 1.00 EPHX1 (0.62) EPHX1ALDH1A1HPGDCYP19A1TRPM8
SCHEMBL6129364 1.00 EPHX1 (0.62) EPHX1ALDH1A1HPGDCYP19A1TRPM8
SCHEMBL1075939 0.96 EPHX1 (0.66) EPHX1ALDH1A1HPGDCYP19A1TRPM8
SCHEMBL5125211 0.96 EPHX1 (0.66) EPHX1ALDH1A1HPGDCYP19A1TRPM8
SCHEMBL1664553 0.96 EPHX1 (0.66) EPHX1ALDH1A1HPGDCYP19A1TRPM8
SCHEMBL15797823 0.96 EPHX1 (0.66) EPHX1ALDH1A1HPGDCYP19A1TRPM8
SCHEMBL28252095 0.89 EPHX1 (0.58) EPHX1ALDH1A1HPGDCYP19A1TRPM8
SCHEMBL15391216 0.88 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1TRPM8

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 68 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
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-20080146644-A1 Tricyclic Cytoprotective Compounds HUNTER-FLEMING LIMITED (GB) 2008-06-19 US disclosed
US-20050124554-A1 Spermidine derivatives for the treatment of chronic neurodegenerative diseases SOUTHAMPTON, UNIVERSITY OF (GB) 2005-06-09 US disclosed
EP-0949873-A4 SMOKELESS METHOD AND ARTICLE UTILIZING CATALYTIC HEAT SOURCE FOR CONTROLLING PRODUCTS OF COMBUSTION BROWN & WILLIAMSON TOBACCO CORP (US) 2005-03-23 EP disclosed
EP-1471901-A1 SPERMIDINE DERIVATIVES FOR THE TREATMENT OF CHRONIC NEURODEGENERATIVE DISEASES UNIVERSITY OF SOUTHAMPTON (GB) 2004-11-03 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
US-4080309-A Carbonic acid ester perfumes HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DT) 1978-03-21 US disclosed
US-4033993-A Cycloalkyl carbonates HENKEL & CIE G.M.B.H. (DT) 1977-07-05 US 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 EPHX1 2049/4885ALDH1A1 2180/4885HPGD 842/4885
US-20130023504-A1 Modulation of Prostaglandin/Cyclooxygenase Metabolic Pathways PTGES2, PTGES, PTGS2 EPHX1 490/4885ALDH1A1 804/4885HPGD 22/4885
US-20050124554-A1 Spermidine derivatives for the treatment of chronic neurodegenerative diseases SRM, SMS, PARK7 EPHX1 3679/4885ALDH1A1 831/4885HPGD 1172/4885
US-20100137270-A1 MODULATION OF PROSTAGLANDIN/CYCLOOXYGENASE METABOLIC PATHWAYS PTGES2, PTGES, PTGS2 EPHX1 490/4885ALDH1A1 804/4885HPGD 22/4885

“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.