SCHEMBL10045819

SCHEMBL10045819

COC(=O)c1coc(-c2coc(-c3coc(C(NC(=O)c4coc(-c5coc(-c6coc(C(CCCCNC(=O)OC(C)(C)C)NC(=O)OCc7ccccc7)n6)n5)n4)C(C)C)n3)n2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.39
KLK7 P49862 2/20 0.38
KLK5 Q9Y337 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RECQL P46063 1/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
SYK P43405 1/20 0.37
C3AR1 Q16581 2/20 0.37

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
SCHEMBL10045825 0.95 MAPT (0.56) MAPTL3MBTL1KLK7KLK5MEN1
SCHEMBL10045817 0.93 MAPT (0.59) MAPTL3MBTL1KLK7KLK5MEN1
SCHEMBL800816 0.92 MAPT (0.54) MAPTL3MBTL1KLK7KLK5HDAC6
SCHEMBL10045820 0.88 MAPT (0.61) MAPTL3MBTL1KLK7KLK5MEN1
SCHEMBL10045813 0.86 MAPT (0.67) MAPTL3MBTL1KLK7KLK5MEN1
SCHEMBL10045816 0.85 MAPT (0.59) MAPTL3MBTL1KLK7KLK5MEN1
SCHEMBL805171 0.84 C3AR1 (0.40) MAPTMEN1KMT2AC3AR1POLB
SCHEMBL10045815 0.83 MAPT (0.56) MAPTL3MBTL1KLK7KLK5MEN1
SCHEMBL800804 0.82 CTSL (0.39) MAPTHDAC6HDAC3HDAC4HDAC1
SCHEMBL800815 0.82 CTSL (0.44) MAPTHDAC6HDAC3HDAC4HDAC1

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-8093235-B2 Macrocyclic compounds which stabilize G-Quadruplex DNA and RNA RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-01-10 US 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 (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-20090156627-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, RECQL MAPT 1974/4885L3MBTL1 414/4885KLK7 4616/4885

“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.