SCHEMBL1868048

SCHEMBL1868048

COC(=O)c1coc(C(N)CO[Si](C(C)C)(C(C)C)C(C)C)n1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 1/20 0.37
C3AR1 Q16581 6/20 0.32
FBP1 P09467 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CACNA1G O43497 1/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30

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
SCHEMBL800514 0.81 DAGLA (0.39) DAGLAC3AR1FBP1SLC6A2SLC6A4
SCHEMBL12299227 0.81 DAGLA (0.39) DAGLAFBP1SLC6A2SLC6A4SLC6A3
SCHEMBL800880 0.79 DAGLA (0.39) DAGLAFBP1SLC6A2SLC6A4SLC6A3
SCHEMBL13175023 0.79 DAGLA (0.39) DAGLAFBP1SLC6A2SLC6A4SLC6A3
SCHEMBL805224 0.78 DAGLA (0.38) DAGLAHDAC1HDAC8HDAC6ALOX5AP
SCHEMBL10045823 0.77 C3AR1 (0.49) C3AR1
SCHEMBL800520 0.77 DAGLA (0.47) DAGLASLC6A2SLC6A4SLC6A3HDAC1
SCHEMBL15214456 0.76 DAGLA (0.39) DAGLAFBP1SLC6A2SLC6A4SLC6A3
SCHEMBL7324378 0.76 DAGLA (0.40) DAGLAFBP1SLC6A2SLC6A4SLC6A3
SCHEMBL801030 0.74 HDAC1 (0.37) DAGLAC3AR1FBP1HDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796300-B2 Therapeutic compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-08-05 US disclosed
US-20120238595-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-09-20 US disclosed
EP-2496704-A1 THERAPEUTIC COMPOUNDS Rutgers, The State University of New Jersey (US) 2012-09-12 EP disclosed
US-8093235-B2 Macrocyclic compounds which stabilize G-Quadruplex DNA and RNA RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-01-10 US disclosed
WO-2011057126-A1 THERAPEUTIC COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-05-12 WO disclosed
US-20090156627-A1 THERAPEUTIC COMPOUNDS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-06-18 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 (2 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-20120238595-A1 THERAPEUTIC COMPOUNDS CCNY, MKI67, MCL1 DAGLA 4607/4885C3AR1 1935/4885FBP1 4311/4885
US-20090156627-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, RECQL DAGLA 4631/4885C3AR1 2510/4885FBP1 2141/4885

“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.