SCHEMBL12200880

SCHEMBL12200880

CC(C)(C)OC(=O)N(CCNCc1ccccc1)CCNCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.54
PAX8 Q06710 1/20 0.54
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
ATM Q13315 2/20 0.49
CA14 Q9ULX7 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA7 P43166 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 4/20 0.45
GAA P10253 2/20 0.45
MITF O75030 1/20 0.45
MEN1 O00255 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
REN P00797 1/20 0.44
MAPK1 P28482 2/20 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
SCHEMBL7206187 0.93 HDAC3 (0.55) CCR6PAX8HDAC3HDAC1HDAC2
SCHEMBL9188875 0.92 CCR6 (0.66) CCR6PAX8HDAC3HDAC1HDAC2
SCHEMBL16269680 0.87 ATM (0.48) CCR6PAX8HDAC3HDAC1HDAC2
SCHEMBL7202865 0.85 CCR6 (0.58) CCR6PAX8HDAC3HDAC1HDAC2
SCHEMBL7205254 0.84 CCR6 (0.57) CCR6PAX8HDAC3HDAC1HDAC2
SCHEMBL8619042 0.84 ATM (0.45) CCR6PAX8HDAC3HDAC1HDAC2
SCHEMBL7202274 0.83 CCR6 (0.56) CCR6PAX8HDAC3HDAC1HDAC2
SCHEMBL7207519 0.83 CCR6 (0.56) CCR6PAX8HDAC3HDAC1HDAC2
SCHEMBL15613005 0.79 SMN1; SMN2 (0.55) CCR6PAX8HDAC3HDAC1HDAC2
SCHEMBL9102803 0.78 ATM (0.52) HDAC3HDAC1HDAC2NCOR2ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501478-B2 Trehalose click polymers for delivery of biologically active molecules UNIVERSITY OF CINCINNATI (US) 2013-08-06 US disclosed
US-8372966-B2 Oligonucleotide decoys and methods of use UNIVERSITY OF CINCINNATI (US) 2013-02-12 US disclosed
US-8034619-B2 Polyamides for nucleic acid delivery UNIVERSITY OF CINCINNATI (US) 2011-10-11 US disclosed
US-7927873-B2 Polyamides for nucleic acid delivery UNIVERSITY OF CINCINNATI (US) 2011-04-19 US disclosed
US-20090124534-A1 Trehalose Click Polymers for Delivery of Biologically Active Molecules UNIVERSITY OF CINCINNATI (US) 2009-05-14 US disclosed
US-20090105115-A1 POLYAMIDES FOR NUCLEIC ACID DELIVERY UNIVERSITY OF CINCINNATI 2009-04-23 US disclosed
US-20090099108-A1 OLIGONUCLEOTIDE DECOYS AND METHODS OF USE UNIVERSITY OF CINCINNATI 2009-04-16 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 (3 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-20090105115-A1 POLYAMIDES FOR NUCLEIC ACID DELIVERY TLR3, TLR9, TLR6 CCR6 190/4885PAX8 4395/4885HDAC3 95/4885
US-20090124534-A1 Trehalose Click Polymers for Delivery of Biologically Active Molecules TREH, TK1, DDOST CCR6 2089/4885PAX8 2212/4885HDAC3 1913/4885
US-20090099108-A1 OLIGONUCLEOTIDE DECOYS AND METHODS OF USE NFKB2, IKBKB, NFKBIA CCR6 1342/4885PAX8 488/4885HDAC3 806/4885

“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.