SCHEMBL3268639

SCHEMBL3268639

O=c1ccc2cc(OS(=O)(=O)O)c(O)c(OS(=O)(=O)O)c2o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.52
CA1 P00915 7/20 0.52
CA7 P43166 7/20 0.52
CA9 Q16790 7/20 0.52
CA13 Q8N1Q1 7/20 0.52
KDM4E B2RXH2 8/20 0.51
HSD17B10 Q99714 7/20 0.51
MCL1 Q07820 6/20 0.51
ALDH1A1 P00352 5/20 0.51
HPGD P15428 5/20 0.51
MAPT P10636 4/20 0.51
TDP1 Q9NUW8 3/20 0.51
CASP1 P29466 3/20 0.51
CASP7 P55210 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
CYP2C19 P33261 3/20 0.51
ALOX15 P16050 2/20 0.51
CYP2C9 P11712 2/20 0.51

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
SCHEMBL5130894 0.99 CA12 (0.51) CA12CA1CA7CA9CA13
SCHEMBL30152142 0.91 CA9 (0.66) CA12CA1CA7CA9CA13
SCHEMBL4658192 0.88 MCL1 (0.66) CA12CA1CA7CA9CA13
SCHEMBL4659348 0.88 GAA (0.57) CA12CA1CA7CA9CA13
SCHEMBL13979739 0.88 CA12 (0.47) CA12CA1CA7CA9CA13
SCHEMBL13979740 0.83 CA9 (0.65) CA12CA1CA7CA9CA13
Potassium Ion SCHEMBL5130897 0.83 CA12 (0.50) CA12CA1CA7CA9CA13
SCHEMBL30152059 0.82 CA9 (0.75) CA12CA1CA7CA9CA13
SCHEMBL3924718 0.75 CA9 (0.78) CA12CA1CA7CA9CA13
SCHEMBL30098746 0.75 CA9 (0.78) CA12CA1CA7CA9CA13

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1982731-B1 Method for producing storage stable solutions of pelargonium extracts SCHWABE WILLMAR GMBH & CO (DE) 2010-06-16 EP claimed
WO-2008125240-A2 METHOD FOR PRODUCING STORAGE-STABLE SOLUTIONS FROM PELARGONIUM EXTRACTS DR. WILLMAR SCHWABE GMBH & CO. KG (DE) 2008-10-23 WO claimed
EP-1982731-A1 Method for producing solutions of pelargonium extracts stable during storage Dr. Willmar Schwabe GmbH & Co. KG (DE) 2008-10-22 EP claimed
EP-1982731-B1 Method for producing storage stable solutions of pelargonium extracts SCHWABE WILLMAR GMBH & CO (DE) 2010-06-16 EP disclosed
EP-1763520-B1 USE OF TRISUBSTITUTED BENZOPYRANONES SCHWABE WILLMAR GMBH & CO (DE) 2008-12-17 EP disclosed
WO-2008125240-A2 METHOD FOR PRODUCING STORAGE-STABLE SOLUTIONS FROM PELARGONIUM EXTRACTS DR. WILLMAR SCHWABE GMBH & CO. KG (DE) 2008-10-23 WO disclosed
EP-1982731-A1 Method for producing solutions of pelargonium extracts stable during storage Dr. Willmar Schwabe GmbH & Co. KG (DE) 2008-10-22 EP disclosed
US-20080020068-A1 Use Of Trisubstituted Benzopyranones DR.WILLMAR SCHWABE GMBH & CO. KG (DE) 2008-01-24 US disclosed
US-20080020068-A1 Use Of Trisubstituted Benzopyranones DR.WILLMAR SCHWABE GMBH & CO. KG (DE) 2008-01-24 US disclosed
US-20080020068-A1 Use Of Trisubstituted Benzopyranones DR.WILLMAR SCHWABE GMBH & CO. KG (DE) 2008-01-24 US disclosed
EP-1763520-A2 USE OF TRISUBSTITUTED BENZOPYRANONES Dr. Willmar Schwabe GmbH & Co. KG (DE) 2007-03-21 EP disclosed
WO-2006002918-A2 USE OF TRISUBSTITUTED BENZOPYRANONES DR. WILLMAR SCHWABE GMBH & CO. KG (DE) 2006-01-12 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-20080020068-A1 Use Of Trisubstituted Benzopyranones PTGS1, PTGES, NFKBIA CA12 3626/4885CA1 3195/4885CA7 4049/4885

“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.