SCHEMBL8152602

SCHEMBL8152602

C=CCOC(CCCCC(=O)OC)C(=O)Nc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 13/20 0.74
HDAC3 O15379 4/20 0.51
HDAC1 Q13547 4/20 0.51
HDAC8 Q9BY41 4/20 0.51
HDAC6 Q9UBN7 4/20 0.51
HDAC4 P56524 3/20 0.51
HDAC7 Q8WUI4 3/20 0.51
HDAC10 Q969S8 3/20 0.51
HDAC11 Q96DB2 3/20 0.51
HDAC9 Q9UKV0 3/20 0.51
HDAC5 Q9UQL6 3/20 0.51
LMNA P02545 2/20 0.49
ALDH1A1 P00352 2/20 0.40
KLK7 P49862 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PPARG P37231 1/20 0.40

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
SCHEMBL3581676 0.99 HDAC2 (0.76) HDAC2HDAC3HDAC1HDAC8HDAC6
SCHEMBL3586684 0.99 HDAC2 (0.76) HDAC2HDAC3HDAC1HDAC8HDAC6
SCHEMBL8144842 0.86 HDAC2 (0.98) HDAC2HDAC3HDAC1HDAC8HDAC6
SCHEMBL8150833 0.85 HDAC2 (1.00) HDAC2HDAC3HDAC1HDAC8HDAC6
SCHEMBL8150716 0.85 HDAC2 (1.00) HDAC2HDAC3HDAC1HDAC8HDAC6
SCHEMBL3585099 0.84 HDAC2 (0.76) HDAC2HDAC3HDAC1HDAC8HDAC6
SCHEMBL3585103 0.84 HDAC2 (0.76) HDAC2HDAC3HDAC1HDAC8HDAC6
SCHEMBL8158522 0.84 HDAC2 (0.56) HDAC2HDAC3HDAC1HDAC8HDAC6
SCHEMBL8156566 0.83 HDAC2 (0.74) HDAC2HDAC3HDAC1HDAC8HDAC6
SCHEMBL3590788 0.83 HDAC2 (0.77) HDAC2HDAC3HDAC1HDAC8HDAC6

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
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
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 27/4885HDAC3 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.