SCHEMBL3576132

SCHEMBL3576132

COC(=O)CCCCCC(O)C(=O)Nc1ccc(OC)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
HTT P42858 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
HDAC2 Q92769 7/20 0.53
HDAC8 Q9BY41 5/20 0.52
HDAC3 O15379 4/20 0.52
HDAC4 P56524 4/20 0.52
HDAC1 Q13547 4/20 0.52
HDAC7 Q8WUI4 4/20 0.52
HDAC10 Q969S8 4/20 0.52
HDAC11 Q96DB2 4/20 0.52
HDAC6 Q9UBN7 4/20 0.52
HDAC9 Q9UKV0 4/20 0.52
HDAC5 Q9UQL6 4/20 0.52
KMT2A Q03164 1/20 0.50
KLK7 P49862 2/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CNR1 P21554 1/20 0.46

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
SCHEMBL3585137 0.86 HDAC2 (0.69) HDAC2HDAC8HDAC3HDAC4HDAC1
SCHEMBL3586401 0.86 HDAC2 (0.69) HDAC2HDAC8HDAC3HDAC4HDAC1
SCHEMBL3591236 0.86 HDAC2 (0.69) HDAC2HDAC8HDAC3HDAC4HDAC1
SCHEMBL3581645 0.86 HDAC2 (0.69) HDAC2HDAC8HDAC3HDAC4HDAC1
SCHEMBL8151057 0.85 HDAC2 (0.67) ALDH1A1HDAC2HDAC8HDAC3HDAC4
SCHEMBL13369458 0.83 CNR1 (0.49) ALDH1A1HTTL3MBTL1HDAC2HDAC8
SCHEMBL3582445 0.81 HDAC2 (0.80) ALDH1A1HTTL3MBTL1HDAC2HDAC8
SCHEMBL3579758 0.78 HDAC2 (0.81) ALDH1A1HTTL3MBTL1HDAC2HDAC8
SCHEMBL3590664 0.76 HDAC2 (0.81) L3MBTL1HDAC2HDAC8HDAC3HDAC4
SCHEMBL3575187 0.76 HDAC2 (0.81) L3MBTL1HDAC2HDAC8HDAC3HDAC4

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
US-20100113504-A1 AMIDE COMPOUNDS AND THEIR USE AS ANTITUMOR AGENTS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2010-05-06 US disclosed
US-20100113504-A1 AMIDE COMPOUNDS AND THEIR USE AS ANTITUMOR AGENTS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2010-05-06 US disclosed
US-20100113504-A1 AMIDE COMPOUNDS AND THEIR USE AS ANTITUMOR AGENTS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2010-05-06 US disclosed
EP-2137169-A1 AMIDE COMPOUNDS AND THEIR USE AS ANTITUMOR AGENTS SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2009-12-30 EP disclosed
WO-2008110583-A1 AMIDE COMPOUNDS AND THEIR USE AS ANTITUMOR AGENTS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-09-18 WO disclosed
WO-2008110583-A1 AMIDE COMPOUNDS AND THEIR USE AS ANTITUMOR AGENTS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-09-18 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-20100113504-A1 AMIDE COMPOUNDS AND THEIR USE AS ANTITUMOR AGENTS HDAC3, HCCS, CCNH ALDH1A1 980/4885HTT 4499/4885L3MBTL1 1864/4885

“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.