SCHEMBL21137606

SCHEMBL21137606

CC(C)(C)COC(=O)NCCCOC(=O)NC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.49
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL7807640 0.82 KMT2A (0.42) ALDH1A1LMNA
SCHEMBL28325008 0.82 CA12 (0.57) ACHECA12CA1CA2CA9
SCHEMBL19449057 0.81 ACHE (0.47) ACHECA12CA1CA2CA9
SCHEMBL23056273 0.81 ACHE (0.45) ACHECA12CA1CA2CA9
SCHEMBL23055921 0.79 ACHE (0.44) ACHECA12CA1CA2CA9
SCHEMBL17449239 0.79 CA12 (0.48) ACHECA12CA1CA2CA9
SCHEMBL28317648 0.79 ALDH1A1 (0.55) ACHECA12CA2CA9ALDH1A1
SCHEMBL23613234 0.78 EPHX1 (0.38) ACHECA12CA1CA2CA9
SCHEMBL15356406 0.78 EPHX1 (0.34) ACHE
SCHEMBL12390787 0.78 ACHE (0.46) ACHECA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190290784-A1 LUCIFERIN DERIVATIVES FROM BICYCLIC REACTANTS AND AMINOTHIOL DERIVATIVES AND METHODS OF USE THEREOF UNIV CALIFORNIA (US) 2019-09-26 US disclosed
US-10328161-B2 Luciferin derivatives from bicyclic reactants and aminothiol derivatives and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-06-25 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-10328161-B2 Luciferin derivatives from bicyclic reactants and aminothiol derivatives and methods of use thereof GFPT1, QPCT, GLB1 ACHE 61/4885CA12 2557/4885CA1 2979/4885
US-20190290784-A1 LUCIFERIN DERIVATIVES FROM BICYCLIC REACTANTS AND AMINOTHIOL DERIVATIVES AND METHODS OF USE THEREOF GFPT1, QPCT, GLB1 ACHE 61/4885CA12 2557/4885CA1 2979/4885

“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.