SCHEMBL2345203

SCHEMBL2345203

COc1ccc([C@H]2CC(=O)c3cc(OC)c(C/C=C(\C)CCC=C(C)C)c(OC)c3O2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.59
ACHE P22303 4/20 0.59
MKNK2 Q9HBH9 1/20 0.57
PTGS2 P35354 4/20 0.56
ALOX5 P09917 3/20 0.55
ODC1 P11926 2/20 0.55
ABCG2 Q9UNQ0 3/20 0.54
CYP19A1 P11511 3/20 0.49
TP53 P04637 1/20 0.49
MDM2 Q00987 1/20 0.49
PDPK1 O15530 1/20 0.49
ESR1 P03372 1/20 0.49
PRKCA P17252 1/20 0.49
BACE1 P56817 1/20 0.49
PRKCQ Q04759 1/20 0.49
AKR1B10 O60218 1/20 0.49
AKR1B1 P15121 1/20 0.49
PTPN1 P18031 1/20 0.48

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
SCHEMBL2345206 0.86 MKNK2 (0.77) ELANEACHEMKNK2PTGS2ALOX5
SCHEMBL2345199 0.86 MKNK2 (0.77) ELANEACHEMKNK2PTGS2ALOX5
SCHEMBL8471171 0.86 MKNK2 (0.77) ELANEACHEMKNK2PTGS2ALOX5
SCHEMBL5513744 0.80 ABCG2 (0.66) ELANEACHEMKNK2PTGS2ALOX5
SCHEMBL5513740 0.80 ABCG2 (0.66) ELANEACHEMKNK2PTGS2ALOX5
SCHEMBL16894660 0.78 ODC1 (0.50) ODC1ABCG2CYP19A1PTPN1
SCHEMBL909991 0.76 ELANE (0.75) ELANEACHEPTGS2ALOX5ABCG2
SCHEMBL3238481 0.76 ELANE (0.74) ELANEACHEPTGS2ALOX5ABCG2
SCHEMBL3231721 0.75 ABCG2 (0.78) ELANEACHEPTGS2ALOX5ABCG2
SCHEMBL24075552 0.74 ELANE (1.00) ELANEACHEPTGS2ALOX5TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2045247-B1 Compounds for the inhibition of histone deacetylase NATUREWISE BIOTECH & MEDICALS CORP (TW) 2015-04-08 EP disclosed
US-8008344-B2 Compounds for the inhibition of histone deacetylase NatureWise Biotech and Medicals Corporation (TW) 2011-08-30 US disclosed
EP-2045247-A1 Compounds for the inhibition of histone deacetylase NatureWise Biotech & Medicals Corporation (TW) 2009-04-08 EP disclosed
US-20090076130-A1 COMPOUNDS FOR THE INHIBITION OF HISTONE DEACETYLASE NATUREWISE BIOTECH & MEDICALS CORPORATION (TW) 2009-03-19 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-20090076130-A1 COMPOUNDS FOR THE INHIBITION OF HISTONE DEACETYLASE SMN1; SMN2, HDAC1, HDAC5 ELANE 1578/4885ACHE 913/4885MKNK2 2388/4885

“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.