SCHEMBL4659463

SCHEMBL4659463

COc1c(O)cc2ccc(=O)oc2c1O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 9/20 0.77
CA12 O43570 8/20 0.77
CA1 P00915 7/20 0.77
CA7 P43166 7/20 0.77
CA13 Q8N1Q1 7/20 0.77
KDM4E B2RXH2 8/20 0.67
MCL1 Q07820 7/20 0.67
HSD17B10 Q99714 7/20 0.67
ALDH1A1 P00352 6/20 0.67
HPGD P15428 6/20 0.67
MAPT P10636 4/20 0.67
CASP1 P29466 4/20 0.67
CASP7 P55210 4/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
CYP2C19 P33261 3/20 0.67
TDP1 Q9NUW8 3/20 0.67
ALOX15 P16050 3/20 0.67
CYP2C9 P11712 2/20 0.67
MAPK1 P28482 2/20 0.67
MEN1 O00255 2/20 0.67

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
SCHEMBL30819206 0.88 CA12 (0.73) CA9CA12CA1CA7CA13
SCHEMBL28324995 0.88 CA12 (0.73) CA9CA12CA1CA7CA13
SCHEMBL29396102 0.87 CA9 (1.00) CA9CA12CA1CA7CA13
SCHEMBL3190311 0.87 CA9 (1.00) CA9CA12CA1CA7CA13
Methoxymethane SCHEMBL2253445 0.86 CA9 (0.97) CA9CA12CA1CA7CA13
SCHEMBL5427865 0.81 CA9 (0.64) CA9CA12CA1CA7CA13
SCHEMBL3924718 0.81 CA9 (0.78) CA9CA12CA1CA7CA13
SCHEMBL30098746 0.81 CA9 (0.78) CA9CA12CA1CA7CA13
SCHEMBL15171965 0.80 CA12 (0.63) CA9CA12CA1CA7CA13
Fraxetin SCHEMBL30010613 0.80 CA9 (1.00) CA9CA12CA1CA7CA13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1763520-B1 USE OF TRISUBSTITUTED BENZOPYRANONES SCHWABE WILLMAR GMBH & CO (DE) 2008-12-17 EP disclosed
EP-1763520-B1 USE OF TRISUBSTITUTED BENZOPYRANONES SCHWABE WILLMAR GMBH & CO (DE) 2008-12-17 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
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 CA9 4658/4885CA12 3626/4885CA1 3195/4885

“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.