SCHEMBL5573403

SCHEMBL5573403

COc1ccccc1C([O])(OC)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
CA7 P43166 3/20 0.50
CA9 Q16790 3/20 0.50
CA12 O43570 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CA4 P22748 1/20 0.50
GAA P10253 2/20 0.42
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
ADRA2B P18089 1/20 0.41
PTGS1 P23219 1/20 0.41
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ENPP2 Q13822 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39

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
SCHEMBL3671684 0.77 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL8784754 0.77 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL5675558 0.77 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL7608708 0.77 CA1 (0.48) CA1CA2CA7CA9CA12
SCHEMBL2130015 0.76 CA1 (0.52) CA1CA2CA7CA9CA12
SCHEMBL2434874 0.75 CA1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL3328991 0.75 CA1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL30948566 0.75 CA1 (0.57) CA1CA2CA7CA9CA12
SCHEMBL8784464 0.75 CA1 (0.57) CA1CA2CA7CA9CA12
SCHEMBL9326106 0.75 CA1 (0.57) CA1CA2CA7CA9CA12

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
JP-3187838-B2 2001-07-16 JP claimed
EP-0737195-A1 NEW GINKGOLIDE DERIVATIVES AND A PROCESS FOR PREPARING THEM SUNKYONG INDUSTRIES CO., LTD. (KR) 1996-10-16 EP claimed
US-5541183-A RESPIRATORY SYSTEM DISORDERS, SKIN DISORDERS AND PLATELET ACTIVATING FACTOR ANTAGONIST SUNKYONG INDUSTRIES CO., LTD. (KR) 1996-07-30 US claimed
WO-1995018131-A1 NEW GINKGOLIDE DERIVATIVES AND A PROCESS FOR PREPARING THEM SUNKYONG INDUSTRIES CO., LTD. (KR) 1995-07-06 WO claimed
US-7247714-B2 Protection against oxidative stress and inflammation by a cytoprotective response element ATHEROGENICS, INC. (US) 2007-07-24 US disclosed
US-20060258735-A1 1,3-Bis-(substituted-phenyl)-2-propen-1-ones and their use to treat VCAM-1 mediated disorders MENG CHARLES Q 2006-11-16 US disclosed
US-7078431-B2 1,3-bis-(substituted-phenyl)-2-propen-1-ones and their use to treat VCAM-1 mediated disorders ATHEROGENICS, INC. (US) 2006-07-18 US disclosed
US-6608101-B1 Inflammatory disorders; 3-(2,4-dimethoxy-5-(thien-2-yl)phenyl)-1-(4-carboxymethoxy-3,5 -dimethoxyphenyl)-2-propen-1-one; ATHEROGENICS, INC. 2003-08-19 US disclosed
EP-1304325-A1 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-04-23 EP disclosed
EP-0737195-A1 NEW GINKGOLIDE DERIVATIVES AND A PROCESS FOR PREPARING THEM SUNKYONG INDUSTRIES CO., LTD. (KR) 1996-10-16 EP disclosed
US-5541183-A RESPIRATORY SYSTEM DISORDERS, SKIN DISORDERS AND PLATELET ACTIVATING FACTOR ANTAGONIST SUNKYONG INDUSTRIES CO., LTD. (KR) 1996-07-30 US disclosed
WO-1995018131-A1 NEW GINKGOLIDE DERIVATIVES AND A PROCESS FOR PREPARING THEM SUNKYONG INDUSTRIES CO., LTD. (KR) 1995-07-06 WO disclosed
EP-0226641-B1 OXODIAZINE COMPOUNDS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-10-18 EP disclosed
US-4713381-A ANTICOAGULANTS, ANALGESICS, ANTIINFLAMMATORY AGENT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1987-12-15 US disclosed
EP-0226641-A1 OXODIAZINE COMPOUNDS. YOSHITOMI PHARMACEUTICAL (JP) 1987-07-01 EP disclosed
WO-1986007059-A2 OXODIAZINE COMPOUNDS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1986-12-04 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 (1 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-20060258735-A1 1,3-Bis-(substituted-phenyl)-2-propen-1-ones and their use to treat VCAM-1 mediated disorders VCAM1, ICAM1, ITGB1 CA1 3494/4885CA2 3673/4885CA7 4060/4885

“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.