SCHEMBL8153980

SCHEMBL8153980

COc1ccc(CO[C@@H](CCCCCC(=O)NO)C(=O)Nc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 16/20 1.00
HDAC8 Q9BY41 8/20 1.00
HDAC4 P56524 7/20 1.00
HDAC1 Q13547 7/20 1.00
HDAC7 Q8WUI4 7/20 1.00
HDAC11 Q96DB2 7/20 1.00
HDAC6 Q9UBN7 7/20 1.00
HDAC9 Q9UKV0 7/20 1.00
HDAC5 Q9UQL6 7/20 1.00
HDAC3 O15379 6/20 1.00
HDAC10 Q969S8 6/20 1.00
KLK7 P49862 1/20 0.50
KDM4E B2RXH2 1/20 0.49
BRD4 O60885 1/20 0.49
NCOR1 O75376 1/20 0.49
NR1I2 O75469 1/20 0.49
EGFR P00533 1/20 0.49
CYP3A4 P08684 1/20 0.49
LTA4H P09960 1/20 0.49
NR0B1 P51843 1/20 0.49

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
SCHEMBL8144340 1.00 HDAC2 (1.00) HDAC2HDAC8HDAC4HDAC1HDAC7
SCHEMBL8150732 1.00 HDAC2 (1.00) HDAC2HDAC8HDAC4HDAC1HDAC7
SCHEMBL8152903 1.00 HDAC2 (1.00) HDAC2HDAC8HDAC4HDAC1HDAC7
SCHEMBL8144768 0.99 HDAC2 (0.98) HDAC2HDAC8HDAC4HDAC1HDAC7
SCHEMBL8152481 0.96 HDAC2 (1.00) HDAC2HDAC8HDAC4HDAC1HDAC7
SCHEMBL8149331 0.95 HDAC2 (1.00) HDAC2HDAC8HDAC4HDAC1HDAC7
SCHEMBL8148668 0.92 HDAC2 (0.85) HDAC2HDAC8HDAC4HDAC1HDAC7
SCHEMBL3575187 0.90 HDAC2 (0.81) HDAC2HDAC8HDAC4HDAC1HDAC7
SCHEMBL8152692 0.90 HDAC2 (0.83) HDAC2HDAC8HDAC4HDAC1HDAC7
SCHEMBL3577817 0.90 HDAC2 (0.81) HDAC2HDAC8HDAC4HDAC1HDAC7

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 27/4885HDAC8 51/4885HDAC4 26/4885

“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.