SCHEMBL3582244

SCHEMBL3582244

COC(=O)CCCCCC(OCc1cc(OC)cc(OC)c1)C(=O)Nc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 10/20 0.68
HDAC8 Q9BY41 2/20 0.68
HDAC3 O15379 1/20 0.68
HDAC4 P56524 1/20 0.68
HDAC1 Q13547 1/20 0.68
HDAC7 Q8WUI4 1/20 0.68
HDAC10 Q969S8 1/20 0.68
HDAC11 Q96DB2 1/20 0.68
HDAC6 Q9UBN7 1/20 0.68
HDAC9 Q9UKV0 1/20 0.68
HDAC5 Q9UQL6 1/20 0.68
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
KLK7 P49862 3/20 0.47
HIF1A Q16665 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL3578584 0.93 HDAC2 (0.65) HDAC2HDAC8HDAC3HDAC4HDAC1
SCHEMBL3575187 0.92 HDAC2 (0.81) HDAC2HDAC8HDAC3HDAC4HDAC1
SCHEMBL3585443 0.92 HDAC2 (0.81) HDAC2HDAC8HDAC3HDAC4HDAC1
SCHEMBL3590664 0.92 HDAC2 (0.81) HDAC2HDAC8HDAC3HDAC4HDAC1
SCHEMBL3577817 0.92 HDAC2 (0.81) HDAC2HDAC8HDAC3HDAC4HDAC1
SCHEMBL8153298 0.90 HDAC2 (0.79) HDAC2HDAC8HDAC3HDAC4HDAC1
SCHEMBL8148668 0.90 HDAC2 (0.85) HDAC2HDAC8HDAC3HDAC4HDAC1
SCHEMBL3579758 0.89 HDAC2 (0.81) HDAC2HDAC8HDAC3HDAC4HDAC1
SCHEMBL8156566 0.89 HDAC2 (0.74) HDAC2HDAC8HDAC3HDAC4HDAC1
SCHEMBL3582921 0.88 HDAC2 (0.59) HDAC2HDAC8HDAC3HDAC4HDAC1

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 HDAC2 27/4885HDAC8 51/4885HDAC3 1/4885

“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.