SCHEMBL4825449

SCHEMBL4825449

BrCc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
MAOB P27338 7/20 0.55
ALOX5 P09917 1/20 0.53
CYP1A2 P05177 2/20 0.52
LMNA P02545 1/20 0.52
PTGS1 P23219 1/20 0.52
SLC6A2 P23975 1/20 0.52
CYP2C19 P33261 1/20 0.52
PTGS2 P35354 1/20 0.52
SLC6A3 Q01959 1/20 0.52
HIF1A Q16665 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
BCHE P06276 4/20 0.51
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
TRPA1 O75762 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TSHR P16473 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
SCHEMBL13241481 0.98 MEN1 (0.56) MEN1KMT2AMAOBALOX5CYP1A2
SCHEMBL5027658 0.98 MEN1 (0.56) MEN1KMT2AMAOBALOX5CYP1A2
SCHEMBL21429714 0.96 MAOB (0.55) MEN1KMT2AMAOBALOX5CYP1A2
SCHEMBL21582181 0.91 MAOB (0.65) MEN1KMT2AMAOBBCHETSHR
SCHEMBL9999624 0.90 MAOB (0.50) MEN1KMT2AMAOBALOX5CYP1A2
SCHEMBL9454219 0.88 GRM5 (0.54) MEN1KMT2AMAOBALOX5CYP1A2
SCHEMBL4674930 0.87 MEN1 (0.70) MEN1KMT2AMAOBALOX5CYP1A2
SCHEMBL80829 0.86 MAOB (0.68) MAOBALOX5BCHECYP4F2CYP4A11
SCHEMBL29411728 0.86 MAOB (0.68) MAOBALOX5BCHECYP4F2CYP4A11
SCHEMBL2809203 0.86 MAOB (0.50) MEN1KMT2AMAOBALOX5LMNA

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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001060774-A1 SYNTHESIS OF RESVERATROL BRIGHAM YOUNG UNIVERSITY (US) 2001-08-23 WO claimed
CN-114890896-B Dendritic (methyl) acrylic ester monomer and preparation method and application thereof 中国科学院理化技术研究所 2023-07-07 CN disclosed
CN-114890896-A Dendritic (methyl) acrylate monomer and preparation method and application thereof 中国科学院理化技术研究所 2022-08-12 CN disclosed
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
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-20050270614-A1 Photochromic device YAMANASHI TLO CO., LTD. (JP) 2005-12-08 US disclosed
US-20040210058-A1 Photochromic compound, photochromic composition and photochromic display element using the same YAMANASHI TLO CO., LTD. (JP) 2004-10-21 US disclosed
EP-1469056-A2 Photochromic compound, photochromic composition and photochromic display element using the same Yamanashi TLO Co. Ltd. (JP) 2004-10-20 EP disclosed
WO-2001060774-A1 SYNTHESIS OF RESVERATROL BRIGHAM YOUNG UNIVERSITY (US) 2001-08-23 WO disclosed
US-5807837-A ADMINISTERING TO TREAT HIV INFECTIONS TO INHIBIT THE REPLICATION OF FOREIGN NUCLEIC ACIDS IN A NORMAL CELL SANKYO COMPANY, LIMITED (JP) 1998-09-15 US disclosed
US-5674856-A TREATMENT AND PROPHYLAXIS OF VIRAL INFECTIONS, INCLUDING AIDS AND TUMORS SANKYO COMPANY, LIMITED (JP) 1997-10-07 US disclosed
EP-0611075-B1 Modified oligodeoxyribonucleotides, their preparation and their therapeutic use SANKYO CO (JP) 1996-12-18 EP disclosed
EP-0611075-A1 Modified oligodeoxyribonucleotides, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-08-17 EP disclosed
EP-0558749-A1 ANTISENSE NUCLEIC ACID DERIVATIVE SANKYO COMPANY LIMITED (JP) 1993-09-08 EP disclosed
US-5041516-A Macromolecules CORNELL RESEARCH FOUNDATION, INC. (US) 1991-08-20 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 MEN1 3497/4885KMT2A 3403/4885MAOB 224/4885
US-20040210058-A1 Photochromic compound, photochromic composition and photochromic display element using the same EPB41L2, TYR, SBDS MEN1 4405/4885KMT2A 1723/4885MAOB 1519/4885
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 MEN1 3497/4885KMT2A 3403/4885MAOB 224/4885

“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.