SCHEMBL10042969

SCHEMBL10042969

CCCCOC(=O)C(Cc1ccccc1)NC(=O)CNC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
POLB P06746 2/20 0.49
BIRC2 Q13490 1/20 0.48
FAAH O00519 2/20 0.48
TACR1 P25103 1/20 0.47
TSHR P16473 1/20 0.46
TP53 P04637 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL9488167 0.88 POLB (0.52) HDAC1HDAC6POLBBIRC2FAAH
SCHEMBL9488173 0.88 POLB (0.52) HDAC1HDAC6POLBBIRC2FAAH
SCHEMBL9487233 0.86 POLB (0.53) POLBBIRC2FAAHTACR1TSHR
SCHEMBL9487238 0.86 POLB (0.53) POLBBIRC2FAAHTACR1TSHR
SCHEMBL8271879 0.86 ITGB3 (0.52) POLBBIRC2TACR1TSHRTP53
SCHEMBL27515952 0.85 POLB (0.54) POLBBIRC2TACR1TSHRTP53
SCHEMBL9486892 0.84 TACR1 (0.61) POLBBIRC2TACR1TSHRMEN1
SCHEMBL9488064 0.84 TACR1 (0.61) POLBBIRC2TACR1TSHRMEN1
SCHEMBL807262 0.84 TSHR (0.50) POLBBIRC2TSHRALDH1A1GAA
SCHEMBL25034712 0.84 ATM (0.62) HDAC1HDAC6POLBMEN1ALDH1A1

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
EP-2408445-B1 GOLD(III) COMPLEXES WITH OLIGOPEPTIDES FUNCTIONALIZED WITH SULFUR DONORS AND USE THEREOF AS ANTITUMOR AGENTS UNIV PADOVA (IT) 2014-11-19 EP disclosed
US-8481496-B2 Gold (III) complexes with oligopeptides functionalized with sulfur donors and use thereof as antitumor agents UNIVERSITA' DEGLI STUDI DI PADOVA (IT) 2013-07-09 US disclosed
US-20120101044-A1 GOLD (III) COMPLEXES WITH OLIGOPEPTIDES FUNCTIONALIZED WITH SULFUR DONORS AND USE THEREOF AS ANTITUMOR AGENTS UNIVERSITA' DEGLI STUDI DI PADOVA 2012-04-26 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-20120101044-A1 GOLD (III) COMPLEXES WITH OLIGOPEPTIDES FUNCTIONALIZED WITH SULFUR DONORS AND USE THEREOF AS ANTITUMOR AGENTS UACA, UBXN4, PDIA3 HDAC1 4189/4885HDAC6 1323/4885HDAC3 2520/4885

“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.