SCHEMBL3585982

SCHEMBL3585982

COC(=O)CCCCCC(=O)Nc1ccccc1OCc1ccc(OC)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.55
HDAC3 O15379 3/20 0.55
HDAC1 Q13547 3/20 0.55
HDAC4 P56524 2/20 0.55
HDAC7 Q8WUI4 2/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC10 Q969S8 2/20 0.55
HDAC11 Q96DB2 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
HDAC9 Q9UKV0 2/20 0.55
HDAC5 Q9UQL6 2/20 0.55
RAB9A P51151 1/20 0.54
TSHR P16473 2/20 0.53
USP2 O75604 1/20 0.53
ALDH1A1 P00352 1/20 0.52
GAA P10253 3/20 0.52
HTT P42858 1/20 0.51
BRD4 O60885 1/20 0.50
L3MBTL1 Q9Y468 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
SCHEMBL3581432 0.91 BRD4 (0.61) HDAC8HDAC3HDAC1HDAC4HDAC7
SCHEMBL3589532 0.83 HDAC3 (0.77) HDAC8HDAC3HDAC1HDAC4HDAC7
SCHEMBL8366817 0.80 BRD4 (0.59) HDAC3HDAC1HDAC2RAB9ATSHR
SCHEMBL8148934 0.79 HDAC3 (0.56) HDAC8HDAC3HDAC1HDAC4HDAC7
SCHEMBL31635259 0.78 ALDH1A1 (0.61) HDAC8HDAC3HDAC1HDAC4HDAC7
SCHEMBL31155839 0.78 GAA (0.56) HDAC8HDAC3HDAC1HDAC4HDAC7
SCHEMBL4429525 0.78 HDAC3 (0.55) HDAC8HDAC3HDAC1HDAC4HDAC7
SCHEMBL8159189 0.77 GAA (0.58) HDAC8HDAC3HDAC1HDAC4HDAC7
SCHEMBL7760029 0.76 NPC1 (0.67) RAB9ABRD4
SCHEMBL8149985 0.76 HDAC3 (0.53) HDAC8HDAC3HDAC1HDAC4HDAC7

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 3 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
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

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 HDAC8 51/4885HDAC3 1/4885HDAC1 5/4885

“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.