SCHEMBL8380828

SCHEMBL8380828

CCOC(=O)N1CC(=O)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
MDM2 Q00987 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TSHR P16473 1/20 0.48
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
F2 P00734 3/20 0.47
F10 P00742 2/20 0.47
ABL1 P00519 1/20 0.44
RIN1 Q13671 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GAA P10253 5/20 0.44
RECQL P46063 1/20 0.44
KDM4E B2RXH2 2/20 0.43

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
SCHEMBL9584501 0.91 TSHR (0.50) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL568818 0.84 TSHR (0.47) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL1396142 0.82 LMNA (0.56) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL1583808 0.81 CYP1A2 (0.47) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL6306521 0.81 TSHR (0.44) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL4008417 0.79 MEN1 (0.44) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL158497 0.78 TSHR (0.55) ALDH1A1MAPTMEN1KMT2ATSHR
Hydrochloric Acid SCHEMBL27776511 0.77 TSHR (0.53) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL17624550 0.77 TSHR (0.44) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL17014920 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3094318-B1 NOVEL FUNCTIONALIZED 1,3-BENZENE DIOLS AND THEIR METHOD OF USE FOR THE TREATMENT OF HEPATIC ENCEPHALOPATHY KANNALIFE SCIENCES INC (US) 2020-02-19 EP disclosed
US-10004722-B2 Method for treating hepatic encephalopathy or a disease associated with free radical mediate stress and oxidative stress with novel functionalized 1,3-benzene diols KANNALIFE SCIENCES, INC. (US) 2018-06-26 US disclosed
US-10004722-B2 Method for treating hepatic encephalopathy or a disease associated with free radical mediate stress and oxidative stress with novel functionalized 1,3-benzene diols KANNALIFE SCIENCES, INC. (US) 2018-06-26 US disclosed
US-20170157097-A1 METHOD FOR TREATING HEPATIC ENCEPHALOPATHY OR A DISEASE ASSOCIATED WITH FREE RADICAL MEDIATE STRESS AND OXIDATIVE STRESS WITH NOVEL FUNCTIONALIZED 1,3-BENZENE DIOLS KANNALIFE SCIENCES, INC. 2017-06-08 US disclosed
US-20170157097-A1 METHOD FOR TREATING HEPATIC ENCEPHALOPATHY OR A DISEASE ASSOCIATED WITH FREE RADICAL MEDIATE STRESS AND OXIDATIVE STRESS WITH NOVEL FUNCTIONALIZED 1,3-BENZENE DIOLS KANNALIFE SCIENCES, INC. 2017-06-08 US disclosed
US-20170157097-A1 METHOD FOR TREATING HEPATIC ENCEPHALOPATHY OR A DISEASE ASSOCIATED WITH FREE RADICAL MEDIATE STRESS AND OXIDATIVE STRESS WITH NOVEL FUNCTIONALIZED 1,3-BENZENE DIOLS KANNALIFE SCIENCES, INC. 2017-06-08 US disclosed
US-9611213-B2 Functionalized 1,3-benzene diols and their method of use for the treatment of hepatic encephalopathy KANNALIFE SCIENCES, INC. (US) 2017-04-04 US disclosed
US-9611213-B2 Functionalized 1,3-benzene diols and their method of use for the treatment of hepatic encephalopathy KANNALIFE SCIENCES, INC. (US) 2017-04-04 US disclosed
US-9611213-B2 Functionalized 1,3-benzene diols and their method of use for the treatment of hepatic encephalopathy KANNALIFE SCIENCES, INC. (US) 2017-04-04 US disclosed
EP-3094318-A2 NOVEL FUNCTIONALIZED 1,3-BENZENE DIOLS AND THEIR METHOD OF USE FOR THE TREATMENT OF HEPATIC ENCEPHALOPATHY Kannalife, Inc. (US) 2016-11-23 EP disclosed
US-20160311769-A1 NOVEL FUNCTIONALIZED 1,3-BENZENE DIOLS AND THEIR METHOD OF USE FOR THE TREATMENT OF HEPATIC ENCEPHALOPTHY KANNALIFE SCIENCES, INC. 2016-10-27 US disclosed
US-20160311769-A1 NOVEL FUNCTIONALIZED 1,3-BENZENE DIOLS AND THEIR METHOD OF USE FOR THE TREATMENT OF HEPATIC ENCEPHALOPTHY KANNALIFE SCIENCES, INC. 2016-10-27 US disclosed
US-20160311769-A1 NOVEL FUNCTIONALIZED 1,3-BENZENE DIOLS AND THEIR METHOD OF USE FOR THE TREATMENT OF HEPATIC ENCEPHALOPTHY KANNALIFE SCIENCES, INC. 2016-10-27 US disclosed
WO-2015106108-A2 NOVEL FUNCTIONALIZED 1,3-BENZENE DIOLS AND THEIR METHOD OF USE FOR THE TREATMENT OF HEPATIC ENCEPHALOPATHY KANNALIFE, INC. (US) 2015-07-16 WO disclosed
WO-2015106108-A2 NOVEL FUNCTIONALIZED 1,3-BENZENE DIOLS AND THEIR METHOD OF USE FOR THE TREATMENT OF HEPATIC ENCEPHALOPATHY KANNALIFE, INC. (US) 2015-07-16 WO disclosed
US-5883102-A Pharmaceutically active compounds ASTRA PHARMACEUTICALS LIMITED (GB) 1999-03-16 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 (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-20170157097-A1 METHOD FOR TREATING HEPATIC ENCEPHALOPATHY OR A DISEASE ASSOCIATED WITH FREE RADICAL MEDIATE STRESS AND OXIDATIVE STRESS WITH NOVEL FUNCTIONALIZED 1,3-BENZENE DIOLS TXNRD2, KEAP1, GOT2 ALDH1A1 195/4885MAPT 647/4885MEN1 3497/4885
US-20160311769-A1 NOVEL FUNCTIONALIZED 1,3-BENZENE DIOLS AND THEIR METHOD OF USE FOR THE TREATMENT OF HEPATIC ENCEPHALOPTHY EPHX1, DBH, EPHX2 ALDH1A1 197/4885MAPT 1546/4885MEN1 2010/4885
US-10004722-B2 Method for treating hepatic encephalopathy or a disease associated with free radical mediate stress and oxidative stress with novel functionalized 1,3-benzene diols TXNRD2, KEAP1, GOT2 ALDH1A1 195/4885MAPT 647/4885MEN1 3497/4885

“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.