SCHEMBL4561864

SCHEMBL4561864

CCCOC(C(=O)Nc1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.54
POLB P06746 1/20 0.53
KLK7 P49862 5/20 0.52
ALDH1A1 P00352 3/20 0.51
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
CRHBP P24387 2/20 0.48
CRHR2 Q13324 2/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
HPGD P15428 1/20 0.47
GLS O94925 1/20 0.47

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
SCHEMBL4561508 0.87 POLB (0.56) POLBKLK7ALDH1A1GAAL3MBTL1
SCHEMBL8084866 0.82 PPARA (0.47) ALDH1A1SMN1; SMN2LMNA
SCHEMBL17724542 0.82 PPARA (0.47) ALDH1A1SMN1; SMN2LMNA
SCHEMBL9256009 0.81 HDAC2 (0.54) HDAC2POLBKLK7ALDH1A1GAA
SCHEMBL16673029 0.81 KMT2A (0.53) ALDH1A1GAAKMT2ASMN1; SMN2MEN1
SCHEMBL23829508 0.80 ALDH1A1 (0.45) POLBALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL16672826 0.79 LMNA (0.51) ALDH1A1GAAKMT2ASMN1; SMN2KDM4E
SCHEMBL20538944 0.79 LMNA (0.43) POLBALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL8049390 0.78 ALDH1A1 (0.77) POLBKLK7ALDH1A1GAAL3MBTL1
SCHEMBL16672581 0.78 MMP8 (0.50) POLBALDH1A1GAAKMT2ASMN1; SMN2

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-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 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-20090181943-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC3 HDAC2 5/4885POLB 425/4885KLK7 1814/4885

“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.