SCHEMBL21648873

SCHEMBL21648873

CC(C)CCNC(=O)OCCOCCN1C(=O)C=CC1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.51
HRH3 Q9Y5N1 2/20 0.40
CHRNB2 P17787 3/20 0.36
CHRNB4 P30926 3/20 0.36
CHRNA3 P32297 3/20 0.36
CHRNA4 P43681 3/20 0.36
HRH4 Q9H3N8 1/20 0.36
ACHE P22303 1/20 0.36
LMNA P02545 4/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 4/20 0.34
AKT1 P31749 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
BLM P54132 1/20 0.34
WRN Q14191 1/20 0.34
HIF1A Q16665 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL19266930 0.82 MGLL (0.59) MGLLCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL21648768 0.81 MGLL (0.57) MGLLLMNAALDH1A1HPGDAKT1
SCHEMBL20730015 0.79 MGLL (0.62) MGLLCHRNB2CHRNA4LMNAALDH1A1
SCHEMBL13596609 0.79 MGLL (0.54) MGLLHRH3ACHELMNAALDH1A1
SCHEMBL26234021 0.79 MGLL (0.71) MGLLLMNAALDH1A1HPGDCYP1A2
SCHEMBL12286466 0.78 MGLL (0.43) MGLLLMNAALDH1A1HPGDAKT1
SCHEMBL26972264 0.77 HDAC3 (0.36) HRH3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL21999251 0.77 MGLL (0.48) MGLLLMNAALDH1A1HPGDCYP1A2
SCHEMBL24835072 0.76 MGLL (0.50) MGLLALDH1A1HPGDAKT1CYP1A2
SCHEMBL24835069 0.76 MGLL (0.50) MGLLALDH1A1HPGDAKT1CYP1A2

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-11857638-B2 Quinone-containing conjugates PROMEGA CORPORATION (US) 2024-01-02 US disclosed
US-20200030456-A1 QUINONE-CONTAINING CONJUGATES PROMEGA CORPORATION 2020-01-30 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-20200030456-A1 QUINONE-CONTAINING CONJUGATES NQO1, NQO2, SQOR MGLL 4683/4885HRH3 3652/4885CHRNB2 3357/4885
US-11857638-B2 Quinone-containing conjugates NQO1, NQO2, SQOR MGLL 4683/4885HRH3 3652/4885CHRNB2 3357/4885

“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.