SCHEMBL2959587

SCHEMBL2959587

CCOC(=O)C=Cc1ccc(CO)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.73
CA7 P43166 3/20 0.73
CA9 Q16790 3/20 0.73
CA14 Q9ULX7 3/20 0.73
CA1 P00915 2/20 0.73
CA2 P00918 1/20 0.73
CYP3A4 P08684 1/20 0.63
TTR P02766 1/20 0.62
DPP4 P27487 1/20 0.62
MAOB P27338 1/20 0.56
CA4 P22748 2/20 0.54
CA6 P23280 2/20 0.54
CA5A P35218 2/20 0.54
CA5B Q9Y2D0 2/20 0.54
MET P08581 1/20 0.54
FDPS P14324 1/20 0.54
HDAC8 Q9BY41 1/20 0.53
HDAC2 Q92769 1/20 0.53
AKR1B10 O60218 2/20 0.50
AKR1B1 P15121 2/20 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
SCHEMBL2959584 1.00 CA12 (0.73) CA12CA7CA9CA14CA1
SCHEMBL13957401 0.91 CA12 (0.86) CA12CA7CA9CA14CA1
SCHEMBL5059085 0.91 CA12 (0.86) CA12CA7CA9CA14CA1
SCHEMBL10939791 0.91 CA12 (0.86) CA12CA7CA9CA14CA1
SCHEMBL7842013 0.90 CA12 (0.73) CA12CA7CA9CA14CA1
SCHEMBL4613510 0.90 CA12 (0.73) CA12CA7CA9CA14CA1
SCHEMBL3143890 0.89 CA12 (0.83) CA12CA7CA9CA14CA1
SCHEMBL1260527 0.89 CA12 (0.83) CA12CA7CA9CA14CA1
SCHEMBL20358018 0.89 CA12 (0.67) CA12CA7CA9CA14CA1
SCHEMBL12521956 0.89 CA12 (0.67) CA12CA7CA9CA14CA1

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
EP-1445249-B1 NOVEL BENSOPHENONE DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO LTD (JP) 2012-11-07 EP disclosed
US-7772285-B2 Benzophenone derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2010-08-10 US disclosed
US-20080234301-A1 Alpha-4 Integrin Mediated Cell Adhesion Inhibitors for the Treatment or Prevention of Inflammatory Diseases MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-09-25 US disclosed
US-7410984-B2 Compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-08-12 US disclosed
EP-1737826-A1 ALPHA-4 INTEGRIN MEDIATED CELL ADHESION INHIBITORS FOR THE TREATMENT OR PREVENTION OF INFLAMMATORY DISEASES TANABE SEIYAKU CO., LTD. (JP) 2007-01-03 EP disclosed
US-20050288337-A1 Novel compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2005-12-29 US disclosed
WO-2005075438-A1 ALPHA-4 INTEGRIN MEDIATED CELL ADHESION INHIBITORS FOR THE TREATMENT OR PREVENTION OF INFLAMMATORY DISEASES TANABE SEIYAKU CO., LTD. (JP) 2005-08-18 WO disclosed
EP-1539696-A2 PROCESS FOR PREPARING QUINOLIN ANTIBIOTIC INTERMEDIATES TANABE SEIYAKU CO., LTD. (JP) 2005-06-15 EP disclosed
US-20050113400-A1 Inhibitors of transcription factor AP-1; autoimmune diseases; rheumatoid arthritis; high safety and excellent pharmacokinetics in vivo SHUNICHI SHIOZAWA (JP) 2005-05-26 US disclosed
EP-1445249-A1 NOVEL BENSOPHENONE DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2004-08-11 EP disclosed
WO-2004014859-A2 PROCESS FOR PREPARING QUINOLIN ANTIBIOTIC INTERMEDIATES TANABE SEIYAKU CO., LTD. (JP) 2004-02-19 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 (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-20050288337-A1 Novel compounds ITGB4, ITGA4, ITGB5 CA12 4852/4885CA7 4862/4885CA9 4816/4885
US-20080234301-A1 Alpha-4 Integrin Mediated Cell Adhesion Inhibitors for the Treatment or Prevention of Inflammatory Diseases ITGB4, ITGA4, ICAM1 CA12 3567/4885CA7 4428/4885CA9 3974/4885
US-20050113400-A1 Inhibitors of transcription factor AP-1; autoimmune diseases; rheumatoid arthritis; high safety and excellent pharmacokinetics in vivo SP1, AP1G1, JUN CA12 4777/4885CA7 3128/4885CA9 3983/4885

“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.