SCHEMBL13229031

SCHEMBL13229031

COc1ccc(O)c(C(=O)OC(C)C)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.73
CA1 P00915 5/20 0.73
CA2 P00918 5/20 0.73
CA7 P43166 5/20 0.73
CA9 Q16790 5/20 0.73
CA14 Q9ULX7 5/20 0.73
HPGD P15428 4/20 0.53
ALDH1A1 P00352 3/20 0.53
MAPK1 P28482 2/20 0.53
CYP3A4 P08684 2/20 0.53
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
KDM4E B2RXH2 3/20 0.49
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HSD17B10 Q99714 3/20 0.49
LMNA P02545 2/20 0.49
TP53 P04637 2/20 0.49

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
SCHEMBL16687953 0.87 CA12 (0.73) CA12CA1CA2CA7CA9
SCHEMBL31498357 0.84 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL40169 0.84 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL11442696 0.83 ABCG2 (0.59) CA12CA1CA2CA7CA9
Methyl 2-Hydroxy-5-Methoxybenzoate SCHEMBL29709382 0.82 CA1 (0.72) CA12CA1CA2CA7CA9
Methyl 2-Hydroxy-5-Methoxybenzoate SCHEMBL643758 0.82 CA1 (0.72) CA12CA1CA2CA7CA9
SCHEMBL28786075 0.82 ALDH1A1 (0.60) CA12CA1CA2CA7CA9
SCHEMBL5695920 0.81 CA12 (0.74) CA12CA1CA2CA7CA9
SCHEMBL29445806 0.80 ALDH1A1 (0.72) HPGDALDH1A1MAPK1CYP3A4NPC1
SCHEMBL312754 0.80 ALDH1A1 (0.72) HPGDALDH1A1MAPK1CYP3A4NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9023889-B2 Use of ascorbic acid derivatives for the functionalization of matrices MERCK PATENT GMBH (DE) 2015-05-05 US disclosed
US-20100167936-A1 USE OF ASCORBIC ACID DERIVATIVES FOR THE FUNCTIONALIZATION OF MATRICES MERCK PATENT GESELLSCHAFT (DE) 2010-07-01 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-20100167936-A1 USE OF ASCORBIC ACID DERIVATIVES FOR THE FUNCTIONALIZATION OF MATRICES PROC, TTPA, COX6C CA12 314/4885CA1 787/4885CA2 1120/4885

“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.