SCHEMBL26328949

SCHEMBL26328949

COc1ccc(C)c(C)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
HDAC4 P56524 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 1/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
CYP2D6 P10635 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA1A P35348 1/20 0.33
TRPA1 O75762 1/20 0.33

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
SCHEMBL12929982 0.87 POLB (0.42) POLBGAAGFERCA1CA2
SCHEMBL12993780 0.84 CA1 (0.37) POLBGAAGFERCA1CA2
SCHEMBL10177330 0.81 POLB (0.41) POLBGAAGFERCA1CA2
SCHEMBL10177355 0.81 POLB (0.41) POLBGAAGFERCA1CA2
SCHEMBL29824511 0.80 HDAC4 (0.51) POLBGAAGFERCA1CA2
SCHEMBL366634 0.79 CA1 (0.40) POLBGAAGFERCA1CA2
SCHEMBL8580207 0.79 POLB (0.44) POLBGAAGFERHDAC4HDAC8
SCHEMBL365865 0.79 CA1 (0.40) POLBGAAGFERCA1CA2
SCHEMBL30381056 0.79 CA1 (0.40) POLBGAAGFERCA1CA2
SCHEMBL21521378 0.78 POLB (0.38) POLBGAAGFERCA1CA2

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 POLB 2773/4885GAA 1809/4885GFER 348/4885

“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.