SCHEMBL1759669

SCHEMBL1759669

COc1ccc(OC)c([CH]C=O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 5/20 0.58
CYP1B1 Q16678 5/20 0.58
CYP1A2 P05177 4/20 0.58
NFE2L2 Q16236 3/20 0.58
JUN P05412 1/20 0.57
NFKB1 P19838 1/20 0.57
ALDH1A1 P00352 1/20 0.56
ABCG2 Q9UNQ0 1/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
ERN1 O75460 1/20 0.50
POLB P06746 1/20 0.50
NCOA1 Q15788 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50

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
SCHEMBL172939 0.84 ALDH1A1 (0.71) CYP1A1CYP1B1CYP1A2NFE2L2JUN
SCHEMBL29392394 0.84 ALDH1A1 (0.71) CYP1A1CYP1B1CYP1A2NFE2L2JUN
SCHEMBL5877571 0.81 CYP1A1 (0.69) CYP1A1CYP1B1CYP1A2NFE2L2JUN
SCHEMBL2121298 0.81 CYP1A1 (0.69) CYP1A1CYP1B1CYP1A2NFE2L2JUN
SCHEMBL5252418 0.79 CYP1A1 (0.66) CYP1A1CYP1B1CYP1A2NFE2L2JUN
SCHEMBL1547729 0.78 CYP1A1 (0.63) CYP1A1CYP1B1CYP1A2NFE2L2JUN
SCHEMBL11874684 0.76 CYP1A1 (0.79) CYP1A1CYP1B1CYP1A2NFE2L2JUN
SCHEMBL11874692 0.76 CYP1A1 (0.79) CYP1A1CYP1B1CYP1A2NFE2L2JUN
SCHEMBL1792533 0.76 CYP1A1 (0.61) CYP1A1CYP1B1CYP1A2NFE2L2JUN
SCHEMBL6631188 0.76 CYP1A1 (0.61) CYP1A1CYP1B1CYP1A2NFE2L2JUN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981994-B2 Pyrazole compounds, compositions and methods for treatment of degenerative diseases and disorders MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2018-05-29 US disclosed
EP-2970204-B1 PYRAZOLE COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF DEGENERATIVE DISEASES AND DISORDERS MUSC FOUND FOR RES DEV (US) 2018-03-28 EP disclosed
US-20170121353-A1 PYRAZOLE COMPOUNDS, COMPOSITIONS AND MEHTODS FOR TREATMENT OF DEGENERATIVE DISEASES AND DISORDERS MUSC FOUNDATION FOR RESEARCH DEVELOPMENT 2017-05-04 US disclosed
US-9556207-B2 Pyrazole compounds, compositions and methods for treatment of degenerative diseases and disorders MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2017-01-31 US disclosed
US-20150057247-A1 PYRAZOLE COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF DEGENERATIVE DISEASES AND DISORDERS MUSC FOUNDATION FOR RESEARCH DEVELOPMENT 2015-02-26 US disclosed
US-8921401-B2 Pyrazole compounds, compositions and methods for treatment of degenerative diseases and disorders MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2014-12-30 US disclosed
US-20140274950-A1 PYRAZOLE COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF DEGENERATIVE DISEASES AND DISORDERS MEDICAL UNIVERSITY OF SOUTH CAROLINA (US) 2014-09-18 US disclosed
US-8765728-B2 [1,5]-diazocin derivatives MELLITECH (FR) 2014-07-01 US disclosed
EP-2501685-A1 [1,5]-DIAZOCIN DERIVATIVES Mellitech (FR) 2012-09-26 EP disclosed
US-20120225892-A1 [1,5]-Diazocin Derivatives MELLITECH (FR) 2012-09-06 US disclosed
WO-2011058193-A1 [1,5]-DIAZOCIN DERIVATIVES MELLITECH (FR) 2011-05-19 WO 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-20170121353-A1 PYRAZOLE COMPOUNDS, COMPOSITIONS AND MEHTODS FOR TREATMENT OF DEGENERATIVE DISEASES AND DISORDERS PPARD, ACHE, PRNP CYP1A1 208/4885CYP1B1 77/4885CYP1A2 145/4885
US-20140274950-A1 PYRAZOLE COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF DEGENERATIVE DISEASES AND DISORDERS PPARG, PPARD, PC CYP1A1 355/4885CYP1B1 131/4885CYP1A2 243/4885
US-20150057247-A1 PYRAZOLE COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF DEGENERATIVE DISEASES AND DISORDERS PPARG, PPARD, PC CYP1A1 355/4885CYP1B1 131/4885CYP1A2 243/4885
US-20120225892-A1 [1,5]-Diazocin Derivatives IAPP, INSR, GLP1R CYP1A1 2119/4885CYP1B1 907/4885CYP1A2 2743/4885

“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.