SCHEMBL800880

SCHEMBL800880

COC(=O)c1coc(C(C)N)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 1/20 0.39
HDAC1 Q13547 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
NPSR1 Q6W5P4 1/20 0.35
FBP1 P09467 1/20 0.35
MAPK1 P28482 2/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CACNA1G O43497 1/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
BMP1 P13497 1/20 0.32

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
SCHEMBL13175023 1.00 DAGLA (0.39) DAGLAHDAC1HDAC8HDAC6NPSR1
SCHEMBL801030 0.90 HDAC1 (0.37) DAGLAHDAC1HDAC8HDAC6FBP1
SCHEMBL15214456 0.87 DAGLA (0.39) DAGLAHDAC1HDAC8HDAC6NPSR1
SCHEMBL7324378 0.86 DAGLA (0.40) DAGLAHDAC1HDAC8HDAC6NPSR1
SCHEMBL16011532 0.83 DAGLA (0.39) DAGLAHDAC1HDAC8HDAC6NPSR1
SCHEMBL12299227 0.83 DAGLA (0.39) DAGLAHDAC1HDAC8HDAC6NPSR1
SCHEMBL800514 0.83 DAGLA (0.39) DAGLAHDAC1HDAC8HDAC6NPSR1
SCHEMBL3425679 0.81 DAGLA (0.39) DAGLAHDAC1HDAC8HDAC6NPSR1
SCHEMBL16011587 0.81 DAGLA (0.39) DAGLAHDAC1HDAC8HDAC6NPSR1
SCHEMBL25387512 0.81 HDAC1 (0.40) HDAC1HDAC8HDAC6FBP1KDM4E

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-8518928-B2 Therapeutic compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-08-27 US disclosed
US-8518928-B2 Therapeutic compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-08-27 US disclosed
US-20120071527-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-22 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-20120071527-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, TOP1 DAGLA 4609/4885HDAC1 474/4885HDAC8 812/4885

“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.