SCHEMBL26328986

SCHEMBL26328986

CC(C)CC[C@H](C)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.37
NOS3 P29474 1/20 0.37
NOS2 P35228 1/20 0.37
BLM P54132 1/20 0.36
CA1 P00915 3/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33
GABRR1 P24046 2/20 0.32
CYP1A2 P05177 1/20 0.32
CTSK P43235 2/20 0.32
CTSL P07711 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
SCHEMBL9507719 0.85 MAPK1 (0.37) NOS1NOS3NOS2CA1CA2
SCHEMBL14593930 0.84 KMT2A (0.39) NOS1NOS3NOS2BLMCA1
SCHEMBL28718237 0.84 KMT2A (0.39) NOS1NOS3NOS2BLMCA1
SCHEMBL6740323 0.83 NOS1 (0.37) NOS1NOS3NOS2CA1CA2
SCHEMBL17449756 0.83 CTSK (0.38) NOS1NOS3NOS2CA1CA2
SCHEMBL13847625 0.83 NOS1 (0.37) NOS1NOS3NOS2CA1CA2
SCHEMBL24719148 0.83 NOS1 (0.37) NOS1NOS3NOS2CA1CA2
SCHEMBL934150 0.83 NOS1 (0.37) NOS1NOS3NOS2CA1CA2
SCHEMBL12236056 0.83 CTSK (0.38) NOS1NOS3NOS2CA1CA2
SCHEMBL28722541 0.82 LTA4H (0.46) NOS1NOS3NOS2BLMCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11767302-B2 Reagents and methods for tetrazine synthesis UNIVERSITY OF DELAWARE (US) 2023-09-26 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-11767302-B2 Reagents and methods for tetrazine synthesis TST, CYP4F8, CYP4Z1 NOS1 2558/4885NOS3 2337/4885NOS2 1708/4885

“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.