SCHEMBL4192630

SCHEMBL4192630

CC(=CCO)CC[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]12C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP1A1 P05023 3/20 0.54
ATP1B1 P05026 3/20 0.54
ATP1A3 P13637 3/20 0.54
ATP1B2 P14415 3/20 0.54
ATP1A2 P50993 3/20 0.54
ATP1B3 P54709 3/20 0.54
FXYD2 P54710 3/20 0.54
ATP1A4 Q13733 3/20 0.54
DUSP3 P51452 9/20 0.49
ALOX15 P16050 2/20 0.48
CDC25A P30304 7/20 0.47
PTPN1 P18031 4/20 0.44
MAPKAPK2 P49137 1/20 0.42
CHRNB2 P17787 2/20 0.40
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
CHRNA4 P43681 2/20 0.40
TRPA1 O75762 1/20 0.40
PLA2G2A P14555 1/20 0.39
CHRNA7 P36544 1/20 0.38

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
SCHEMBL4192628 1.00 ATP1A1 (0.54) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL3121878 0.90 DUSP3 (0.51) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL30568384 0.88 ALOX15 (0.49) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL5444056 0.88 ATP1A1 (0.50) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL5444054 0.88 ATP1A1 (0.50) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL25669593 0.85 ATP1A1 (0.48) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL25669572 0.85 ATP1A1 (0.48) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL29934243 0.85 DUSP3 (0.49) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL13455165 0.83 DUSP3 (0.56) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL30236154 0.83 DUSP3 (0.56) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2783004-B1 DITERPENE SYNTHASES AND METHOD FOR PRODUCING DITERPENOIDS UNIV BRITISH COLUMBIA (CA) 2019-08-07 EP disclosed
US-20170321230-A1 Diterpene Synthases and Method for Producing Diterpenoids UNIV BRITISH COLUMBIA (CA) 2017-11-09 US disclosed
US-9677091-B2 Diterpene synthases and method for producing diterpenoids THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2017-06-13 US disclosed
EP-1837029-B2 Composition for prevention and treatment of coughs and colds PANDALIS GEORGIOS (DE) 2016-09-21 EP disclosed
US-20150037854-A1 DITERPENE SYNTHASES AND METHOD FOR PRODUCING DITERPENOIDS UNIVERSITY OF BRITISH COLUMBIA (CA) 2015-02-05 US disclosed
US-8889381-B2 Diterpene synthases and method for producing diterpenoids UNIVERSITY OF BRITISH COLUMBIA (CA) 2014-11-18 US disclosed
EP-2783004-A1 DITERPENE SYNTHASES AND METHOD FOR PRODUCING DITERPENOIDS The University of British Columbia (CA) 2014-10-01 EP disclosed
US-20130224809-A1 Diterpene Synthases And Method For Producing Diterpenoids UNIVERSITY OF BRITISH COLUMBIA (CA) 2013-08-29 US disclosed
WO-2013075239-A1 DITERPENE SYNTHASES AND METHOD FOR PRODUCING DITERPENOIDS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2013-05-30 WO disclosed
US-20090061027-A1 Composition For The Prevention and Treatment Of Common Cold Diseases PANDALIS GEORGIOS 2009-03-05 US disclosed
EP-1837029-B1 Composition for prevention and treatment of coughs and colds PANDALIS GEORGIOS (DE) 2008-10-08 EP disclosed
WO-2007110133-A1 COMPOSITION FOR THE PREVENTION AND TREATMENT OF COMMON COLD DISEASES PANDALIS GEORGIOS (DE) 2007-10-04 WO disclosed
EP-1837029-A1 Composition for prevention and treatment of coughs and colds Pandalis, Georgios (DE) 2007-09-26 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 (1 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-20170321230-A1 Diterpene Synthases and Method for Producing Diterpenoids DHPS, GGPS1, FDPS ATP1A1 3237/4885ATP1B1 3001/4885ATP1A3 3904/4885

“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.