SCHEMBL2239455

SCHEMBL2239455

C=CCOc1c(OCC=C)c(=O)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.37
CA12 O43570 4/20 0.36
CA1 P00915 4/20 0.36
CA9 Q16790 4/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
PTGS1 P23219 3/20 0.36
PTGS2 P35354 3/20 0.36
TLR4 O00206 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2A6 P11509 1/20 0.34
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
LIG1 P18858 1/20 0.32
POLB P06746 2/20 0.32
MAPT P10636 2/20 0.32
GAA P10253 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL6688316 0.84 PTGS1 (0.40) PTPRCCA12CA1CA9CA2
SCHEMBL2873878 0.78 PTPRC (0.40) PTPRCCA12CA1CA9CA2
SCHEMBL21869920 0.72 SMN1; SMN2 (0.34) PTPRCCA12CA1CA9CA2
SCHEMBL21869916 0.70 SMN1; SMN2 (0.33) PTPRCCA12CA1CA9CA2
SCHEMBL285173 0.70 SMN1; SMN2 (0.36) CA12CA1CA9CA2CA7
SCHEMBL5954786 0.70 TLR4 (0.34) CA12CA1CA9CA2CA7
SCHEMBL9683876 0.70 HSD17B10 (0.37) CA12CA1CA9CA2CA7
SCHEMBL5675273 0.67 CA12 (0.46) PTPRCCA12CA1CA9CA2
SCHEMBL28719947 0.67 TLR4 (0.33) TLR4
SCHEMBL5611697 0.67 HSD17B10 (0.35) CA12CA1CA9CA2CA7

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
US-20110224398-A1 POLYMER HAVING OXOCARBON GROUP, AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-09-15 US disclosed
US-7981567-B2 Polymer having oxocarbon group, and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-19 US disclosed
US-20090110994-A1 POLYMER HAVING OXOCARBON GROUP, AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-04-30 US disclosed
US-20080226983-A1 NON-AQUEOUS ELECTROLYTE AND NON-AQUEOUS ELECTROLYTE BATTERY USING THE SAME SONY CORPORATION (JP) 2008-09-18 US disclosed
EP-0559046-B1 N-amidinopiperidinyl(3/4)- or N-amidino-1,4-Oxazinyl(2)-substituted sulfonamides, process for their preparation and use as thrombin inhibitors HOFFMANN LA ROCHE (CH) 2001-07-11 EP disclosed
US-5763604-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1998-06-09 US disclosed
US-5677448-A CHEMICAL INTERMEDIATES FOR MAKING ANTAGONIST OF THROMBIN, TREATING THROMBOSIS, STROKE, INFLAMMATION, ARTERIOSCLEROSIS, CARDIOVASCULAR DISORDERS HOFFMANN-LA ROCHE INC. (US) 1997-10-14 US disclosed
US-5578594-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1996-11-26 US disclosed
US-5405854-A Anticoagulants HOFFMANN-LA ROCHE INC. (US) 1995-04-11 US disclosed
EP-0559046-A1 N-amidinopiperidinyl(3/4)- or N-amidino-1,4-Oxazinyl(2)-substituted sulfonamides, process for their preparation and use as thrombin inhibitors F.HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) 1993-09-08 EP disclosed
US-4092146-A POSTEMERGENCE HERBICIDES, PLANT GROWTH INHIBITORS, DESSICANTS, ETHERS OF CYCLOBUTENEDIONE CIBA-GEIGY CORPORATION (US) 1978-05-30 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 (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-20080226983-A1 NON-AQUEOUS ELECTROLYTE AND NON-AQUEOUS ELECTROLYTE BATTERY USING THE SAME AQP1, SLC9A1, NHERF1 PTPRC 4553/4885CA12 433/4885CA1 117/4885

“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.