SCHEMBL2004805

SCHEMBL2004805

COc1cc(/C=C/CO)cc(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP1B1 Q16678 1/20 0.58
GAA P10253 1/20 0.58
HTT P42858 1/20 0.58
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
HTR1A P08908 1/20 0.58
HPGD P15428 1/20 0.58
HTR2C P28335 1/20 0.58
HSD17B10 Q99714 1/20 0.58
MAPT P10636 1/20 0.57
TUBB1 Q9H4B7 12/20 0.56
TUBB4A P04350 7/20 0.56
TUBB P07437 7/20 0.56
TUBA3C P0DPH7 7/20 0.56
TUBA1B P68363 7/20 0.56
TUBA4A P68366 7/20 0.56
TUBB4B P68371 7/20 0.56
TUBB3 Q13509 7/20 0.56

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
SCHEMBL4299632 1.00 CYP1A1 (0.58) CYP1A1CYP1A2CYP1B1GAAHTT
SCHEMBL30887916 1.00 CYP1A1 (0.58) CYP1A1CYP1A2CYP1B1GAAHTT
SCHEMBL20376311 0.89 TUBB1 (0.54) CYP1A1CYP1A2CYP1B1GAAHTT
SCHEMBL9763615 0.87 TUBB1 (0.55) CYP1A1CYP1A2CYP1B1GAAHTT
SCHEMBL9763608 0.87 TUBB1 (0.55) CYP1A1CYP1A2CYP1B1GAAHTT
SCHEMBL14007277 0.86 MAPT (0.49) CYP1A1CYP1A2CYP1B1GAAHTT
SCHEMBL1457517 0.86 ABL1 (0.59) CYP1A2GAAHTTKDM4EHPGD
SCHEMBL807443 0.86 ABL1 (0.59) CYP1A2GAAHTTKDM4EHPGD
SCHEMBL29603846 0.86 ABL1 (0.59) CYP1A2GAAHTTKDM4EHPGD
SCHEMBL12963108 0.84 TUBB1 (0.59) CYP1A1CYP1A2CYP1B1GAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2003968-A2 COMPOSITIONS AND METHODS TO ADD VALUE TO PLANT PRODUCTS, SO INCREASING THE COMMERCIAL QUALITY, RESISTANCE TO EXTERNAL FACTORS AND POLYPHENOL CONTENT THEREOF Leschot Sanhueza, Andres Antonio (CL) 2008-12-24 EP claimed
US-20070232495-A1 Compositions and methods to add value to plant products, increasing the commercial quality, resistance to external factors and polyphenol content thereof NAPPA ALVARO O 2007-10-04 US claimed
WO-2007110801-A2 COMPOSITIONS AND METHODS TO ADD VALUE TO PLANT PORDUCTS, INCREASING THE COMMERCIAL QUALITY, RESISTANCE TO EXTERNAL FACTORS AND POLYPHENOL CONTENT THEREOF LESCHOT SANHUEZA ANDRES ANTONI (CL) 2007-10-04 WO claimed
US-20170137446-A1 METHOD OF PREPARING AROMATIC COMPOUNDS FROM LIGNIN COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-05-18 US disclosed
EP-1927889-B1 Lithographic printing plate precursor FUJIFILM CORP (JP) 2014-06-25 EP disclosed
US-20110218343-A1 SMALL MOLECULE INHIBITORS OF ROTAMASE ENZYME ACTIVITY GLIAMED, INC. (US) 2011-09-08 US disclosed
US-7960570-B2 Small molecule inhibitors of rotamase enzyme activity GLIAMED, INC. (US) 2011-06-14 US disclosed
US-20100145071-A1 SMALL MOLECULE INHIBITORS OF ROTAMASE ENZYME ACTIVITY GLIAMED, INC. (US) 2010-06-10 US disclosed
EP-1433781-B1 Pyrrolidine carboxylic acid derivatives MGI GP INC (US) 2010-02-24 EP disclosed
US-7652060-B2 Neurotrophic N-glyoxyl-prolyl ester compounds e.g. 3-phenyl-1-propyl (2S)-1-(3,3-dimethyl-1,2-dioxopentyl)-2-pyrrolidinecarboxylate; non-immunosuppressive; side effect reduction; neurodegenerative diseases Glia Med, Inc (US) 2010-01-26 US disclosed
US-20090043109-A1 ASYMMETRIC ONE- AND TWO-PHOTON FLUOROPHORES FOR SIMULTANEOUS DETECTION OF MULTIPLE ANALYTES USING A COMMON EXCITATION SOURCE SENSOPATH TECHNOLOGIES, INC. 2009-02-12 US disclosed
US-5196422-A Antiinflammatory agents, antiallergens ICI PHARMA (FR) 1993-03-23 US disclosed
US-5089513-A Antiinflammatory agents; antiallergens; asthma; side effect reduction ICI PHARMA (FR) 1992-02-18 US disclosed
US-5089639-A N-CYCLOALKYLALKYLAMINES, PROCESS FOR THEIR PREPARATION, THEIR USE AS A MEDICAMENT AND THEIR SYNTHESIS INTERMEDIATES JOUVEINAL S.A. (FR) 1992-02-18 US disclosed
US-5034419-A Psychological disorders or gastrointestinal disorders L'OREAL (FR) 1991-07-23 US disclosed
EP-0351194-A2 Thiazole derivatives having a 5-lipoxygenase-inhibiting activity IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-01-17 EP disclosed
US-4704462-A PLATELET-ACTIVATING FACTOR MERCK & CO., INC. (US) 1987-11-03 US disclosed
US-4687727-A Light-sensitive planographic printing plate with layer of diazo resin containing photopolymerizable composition FUJI PHOTO FILM CO., LTD. (JP) 1987-08-18 US disclosed
US-4511645-A ALLYL METHACRYLATE-METHACRYLIC ACID COPOLYMER, CURING AGENT, PHOTOINITIATOR FUJI PHOTO FILM CO., LTD. (JP) 1985-04-16 US disclosed
EP-0104863-A2 Light-sensitive planographic printing plate FUJI PHOTO FILM CO., LTD. (JP) 1984-04-04 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 (5 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-20100145071-A1 SMALL MOLECULE INHIBITORS OF ROTAMASE ENZYME ACTIVITY FKBP8, FKBP1A, FKBP2 CYP1A1 3559/4885CYP1A2 3659/4885CYP1B1 2852/4885
US-20070232495-A1 Compositions and methods to add value to plant products, increasing the commercial quality, resistance to external factors and polyphenol content thereof C5, PNN, NQO1 CYP1A1 444/4885CYP1A2 966/4885CYP1B1 904/4885
US-20170137446-A1 METHOD OF PREPARING AROMATIC COMPOUNDS FROM LIGNIN DDT, PAH, PNPO CYP1A1 25/4885CYP1A2 41/4885CYP1B1 88/4885
US-20090043109-A1 ASYMMETRIC ONE- AND TWO-PHOTON FLUOROPHORES FOR SIMULTANEOUS DETECTION OF MULTIPLE ANALYTES USING A COMMON EXCITATION SOURCE ALDH1B1, ALDH2, ALDH3A1 CYP1A1 1058/4885CYP1A2 2117/4885CYP1B1 731/4885
US-20110218343-A1 SMALL MOLECULE INHIBITORS OF ROTAMASE ENZYME ACTIVITY FKBP8, FKBP1A, FKBP2 CYP1A1 3559/4885CYP1A2 3659/4885CYP1B1 2852/4885

“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.