SCHEMBL8724713

SCHEMBL8724713

CC(C)(C)OC(=O)CCC(N)CN

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
APP P05067 1/20 0.34
LTA4H P09960 1/20 0.34
STING1 Q86WV6 1/20 0.33
PTPRC P08575 2/20 0.33
CYP2D6 P10635 1/20 0.33
NOS1 P29475 2/20 0.32
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC1A1 P43005 1/20 0.32
ANPEP P15144 3/20 0.31
ENPEP Q07075 3/20 0.31
SLC7A5 Q01650 1/20 0.31

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
SCHEMBL31301833 0.90 ANPEP (0.38) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL29283794 0.85 HDAC3 (0.35) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL6326119 0.85 HDAC3 (0.35) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL6326116 0.85 HDAC3 (0.35) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL5197386 0.85 HDAC3 (0.35) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL14279759 0.83 ALDH1A1 (0.44) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL29135214 0.83 HDAC1 (0.34) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL22843973 0.82 GSR (0.39) ENPEP
SCHEMBL28302938 0.82 HDAC3 (0.38) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL1555671 0.81 LTA4H (0.39) HDAC3HDAC1HDAC2HDAC8HDAC6

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-20160015832-A1 TRIDENTATE CONNEXON AND USE THEREOF NEWBIO THERAPEUTICS, INC. (CN) 2016-01-21 US disclosed
US-20160015832-A1 TRIDENTATE CONNEXON AND USE THEREOF NEWBIO THERAPEUTICS, INC. (CN) 2016-01-21 US disclosed
US-5854410-A Oligonucleoside cleavage compounds and therapies GENTA INCORPORATED (US) 1998-12-29 US disclosed
WO-1995026733-A1 OLIGONUCLEOSIDE CLEAVAGE COMPOUNDS AND THERAPIES GENTA INCORPORATED (US) 1995-10-12 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-20160015832-A1 TRIDENTATE CONNEXON AND USE THEREOF DNTT, CD2, CD4 HDAC3 2808/4885HDAC1 3932/4885HDAC2 3640/4885

“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.