SCHEMBL3585103

SCHEMBL3585103

COC(=O)CCCC[C@H](OC)C(=O)Nc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 12/20 0.76
LMNA P02545 1/20 0.57
HDAC8 Q9BY41 7/20 0.52
HDAC3 O15379 5/20 0.52
HDAC6 Q9UBN7 5/20 0.52
HDAC1 Q13547 4/20 0.52
HDAC4 P56524 3/20 0.52
HDAC7 Q8WUI4 3/20 0.52
HDAC10 Q969S8 3/20 0.52
HDAC11 Q96DB2 3/20 0.52
HDAC9 Q9UKV0 3/20 0.52
HDAC5 Q9UQL6 3/20 0.52
KLK7 P49862 2/20 0.45
PARP1 P09874 1/20 0.44
PARP10 Q53GL7 1/20 0.44

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
SCHEMBL3585099 1.00 HDAC2 (0.76) HDAC2LMNAHDAC8HDAC3HDAC6
SCHEMBL3591282 0.99 HDAC2 (0.77) HDAC2LMNAHDAC8HDAC3HDAC6
SCHEMBL3578415 0.99 HDAC2 (0.77) HDAC2LMNAHDAC8HDAC3HDAC6
SCHEMBL8153169 0.89 HDAC2 (0.76) HDAC2LMNAHDAC8HDAC3HDAC6
SCHEMBL8143763 0.86 HDAC2 (1.00) HDAC2HDAC8HDAC3HDAC6HDAC1
SCHEMBL8155259 0.86 HDAC2 (1.00) HDAC2HDAC8HDAC3HDAC6HDAC1
SCHEMBL8149017 0.86 HDAC2 (1.00) HDAC2HDAC8HDAC3HDAC6HDAC1
SCHEMBL3590788 0.86 HDAC2 (0.77) HDAC2LMNAHDAC8HDAC3HDAC6
SCHEMBL8156566 0.86 HDAC2 (0.74) HDAC2LMNAHDAC8HDAC3HDAC6
SCHEMBL8149008 0.85 HDAC2 (1.00) HDAC2HDAC8HDAC3HDAC6HDAC1

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-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

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 27/4885LMNA 3032/4885HDAC8 51/4885

“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.