SCHEMBL3768113

SCHEMBL3768113

C#CCCC(=O)NCCOCCOCC(N)=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.37
CA12 O43570 4/20 0.37
CA1 P00915 4/20 0.37
CA4 P22748 4/20 0.37
CA9 Q16790 4/20 0.37
CA14 Q9ULX7 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GLP1R P43220 8/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
NCF1 P14598 1/20 0.30
TSHR P16473 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
SCHEMBL19369594 0.97 CA2 (0.36) CA2CA12CA1CA4CA9
SCHEMBL19358760 0.86 GLP1R (0.40) CA2CA12CA1CA4CA9
SCHEMBL19369940 0.85 MEN1 (0.37) CA2CA12CA1CA4CA9
SCHEMBL3768115 0.84 CA2 (0.39) CA2CA12CA1CA4CA9
SCHEMBL19727004 0.84 L3MBTL1 (0.40) CA2CA12CA1CA4CA9
SCHEMBL19358795 0.84 GLP1R (0.42) CA2CA12CA1CA4CA9
SCHEMBL19358777 0.84 GLP1R (0.42) CA2CA12CA1CA4CA9
SCHEMBL19821398 0.83 CA2 (0.37) CA2CA12CA1CA4CA9
SCHEMBL19726993 0.83 CA2 (0.37) CA2CA12CA1CA4CA9
SCHEMBL19726992 0.83 L3MBTL1 (0.41) CA2CA12CA1CA4CA9

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-7851658-B2 Palladium-catalyzed carbon-carbon bond forming reactions PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-12-14 US disclosed
WO-2007008226-A9 PALLADIUM-CATALYZED CARBON-CARBON BOND FORMING REACTIONS HARVARD COLLEGE (US) 2007-05-24 WO disclosed
US-20070066851-A1 Palladium-catalyzed carbon-carbon bond forming reactions NAVY, SECRETARY OF THE UNITED STATES OF AMERICA 2007-03-22 US disclosed
WO-2007008226-A2 PALLADIUM-CATALYZED CARBON-CARBON BOND FORMING REACTIONS THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-01-18 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-20070066851-A1 Palladium-catalyzed carbon-carbon bond forming reactions APEX1, PCNA, DNMT3A CA2 1417/4885CA12 1712/4885CA1 1478/4885

“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.