SCHEMBL1307413

SCHEMBL1307413

CCc1cccc2c(C(CCCCCC(=O)O)c3c[nH]c4c(CC)cccc34)c[nH]c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.56
HDAC1 Q13547 4/20 0.56
HDAC2 Q92769 4/20 0.56
HDAC10 Q969S8 4/20 0.56
HDAC8 Q9BY41 4/20 0.56
HDAC9 Q9UKV0 4/20 0.56
HDAC5 Q9UQL6 4/20 0.56
HDAC4 P56524 3/20 0.56
HDAC7 Q8WUI4 3/20 0.56
HDAC6 Q9UBN7 3/20 0.56
HDAC11 Q96DB2 2/20 0.49
ALDH1A1 P00352 4/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP3 P42574 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
SCHEMBL1305567 0.88 HDAC2 (0.73) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL1306557 0.87 HDAC3 (0.54) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL1306655 0.83 HDAC3 (0.80) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL1306749 0.81 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL1305729 0.78 HDAC3 (0.76) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL1308378 0.78 HDAC3 (0.76) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL2161190 0.76 ALDH1A1 (0.41) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL1307627 0.76 HDAC3 (0.74) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL2071174 0.76 UBE2N (0.50) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL12397636 0.75 GAA (0.43) HDAC3HDAC1HDAC2HDAC10HDAC8

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8053460-B2 Chemoosensitizer for dug resistance tumors SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2011-11-08 US disclosed
US-20080207729-A1 Chemoosensitizer for dug resistance tumors SIGMA-TAU FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-08-28 US disclosed
EP-1891007-A1 INDOLE DERIVATIVES HAVING ANTITUMOR ACTIVITY SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2008-02-27 EP disclosed
WO-2006131484-A1 INDOLE DERIVATIVES HAVING ANTITUMOR ACTIVITY SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2006-12-14 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-20080207729-A1 Chemoosensitizer for dug resistance tumors UTS2R, ABCC1, SLC11A2 HDAC3 3639/4885HDAC1 2669/4885HDAC2 2819/4885

“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.