SCHEMBL4168797

SCHEMBL4168797

COCCOc1cc(OC)cc(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
MAPK1 P28482 2/20 0.46
AHR P35869 2/20 0.43
CYP1A1 P04798 3/20 0.42
CYP1B1 Q16678 3/20 0.42
NPC1 O15118 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2E1 P05181 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP4B1 P13584 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP3A5 P20815 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
SCHEMBL12299798 0.93 ALDH1A1 (0.48) ALDH1A1MAPK1AHRCYP1A1CYP1B1
SCHEMBL4604583 0.91 ALDH1A1 (0.46) ALDH1A1MAPK1AHRCYP1A1CYP1B1
SCHEMBL4604574 0.89 ALDH1A1 (0.44) ALDH1A1MAPK1AHRCYP1A1CYP1B1
SCHEMBL19224011 0.89 ALDH1A1 (0.44) ALDH1A1MAPK1AHRCYP1A1CYP1B1
SCHEMBL1911330 0.88 ALDH1A1 (0.42) ALDH1A1MAPK1AHRTSHRKDM4E
SCHEMBL13490827 0.86 MAPK1 (0.41) ALDH1A1MAPK1AHRNPC1RECQL
SCHEMBL8263863 0.86 ALDH1A1 (0.41) ALDH1A1MAPK1NPC1RECQLRAB9A
SCHEMBL13085719 0.86 ALDH1A1 (0.41) ALDH1A1MAPK1AHRNPC1RECQL
SCHEMBL10757339 0.85 ALDH1A1 (0.55) ALDH1A1MAPK1AHRCYP1A1CYP1B1
SCHEMBL16106194 0.84 TSHR (0.40) ALDH1A1MAPK1RECQLCYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
EP-1529042-B1 ARYLAMIDES INTERMED DISCOVERY GMBH (DE) 2013-02-20 EP disclosed
US-20090149528-A1 Cinnamic acid amides BAYER HEALTHCARE AG (DE) 2009-06-11 US disclosed
US-7402683-B2 3-(1,3-benzodioxol-5-yl)-N-{(1S)-3-[((1S)-2-methyl-1-{[(3R,4S)-4-methyl-2,5-dioxo-3-pyrrolidinyl]carbonyl}propyl)amino]-3-oxo-1-phenylpropyl}-2-propenamide; bactericide, bacterial infection; septic infections, bone and joint infections, skin infections; veterinary medicine BAYER HEALTHCARE AG (DE) 2008-07-22 US disclosed
US-7348357-B2 bactericide; derivatives of pseudopeptide Andrimid in which beta-phenylalanine amide is replaced by heteroaromatic or substituted aromatic amide; N-{(1S)-3-[((1S)-1-{[(3R,4S)-1,4-Dimethyl-2,5-dioxo-3-pyrrolidinyl]carbonyl}-2-methylpropyl)amino]-3-oxo-1-phenylpropyl}-2-pyridinecarboxamide; antibiotics BAYER HEALTHCARE AG (DE) 2008-03-25 US disclosed
EP-1501795-B1 CINNAMIC ACID AMIDES BAYER HEALTHCARE AG (DE) 2007-02-28 EP disclosed
US-20060178369-A1 Cinnamic acid amides INTERMED DISCOVERY GMBH (DE) 2006-08-10 US disclosed
US-20060173040-A1 Arylamides BAYER HEALTHCARE AG (DE) 2006-08-03 US disclosed
EP-1529042-A1 ARYLAMIDES Bayer HealthCare AG (DE) 2005-05-11 EP disclosed
EP-1501795-A1 CINNAMIC ACID AMIDES Bayer Aktiengesellschaft (DE) 2005-02-02 EP disclosed
WO-2004020432-A1 ARYLAMIDES BAYER HEALTHCARE AG (DE) 2004-03-11 WO disclosed
WO-2003091212-A1 CINNAMIC ACID AMIDES BAYER HEALTHCARE AG (DE) 2003-11-06 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 (6 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 195/4885MAPK1 1444/4885AHR 668/4885
US-20160311769-A1 NOVEL FUNCTIONALIZED 1,3-BENZENE DIOLS AND THEIR METHOD OF USE FOR THE TREATMENT OF HEPATIC ENCEPHALOPTHY EPHX1, DBH, EPHX2 ALDH1A1 197/4885MAPK1 3104/4885AHR 400/4885
US-20060178369-A1 Cinnamic acid amides PIGS, NISCH, PIGO ALDH1A1 262/4885MAPK1 3257/4885AHR 765/4885
US-20090149528-A1 Cinnamic acid amides PIGS, NISCH, PIGO ALDH1A1 262/4885MAPK1 3257/4885AHR 765/4885
US-20060173040-A1 Arylamides AADAC, AHR, ARSA ALDH1A1 910/4885MAPK1 4151/4885AHR 2/4885
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 195/4885MAPK1 1444/4885AHR 668/4885

“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.