SCHEMBL26085366

SCHEMBL26085366

CC(C)(C)OC(=O)NCCOCCNC(=O)CCCC(=O)NCc1ccc(-c2nncnn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
CYP3A4 P08684 1/20 0.48
GBA1 P04062 2/20 0.43
SDCBP O00560 1/20 0.40
SDC2 P34741 1/20 0.40
NAMPT P43490 1/20 0.40
BCHE P06276 1/20 0.38
CNR2 P34972 1/20 0.38
HDAC1 Q13547 1/20 0.38
LMNA P02545 1/20 0.38
SUCNR1 Q9BXA5 1/20 0.38
TPSAB1 Q15661 1/20 0.38
BRD4 O60885 1/20 0.38
BRD2 P25440 1/20 0.38
BRD3 Q15059 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MIF P14174 1/20 0.37

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
SCHEMBL18237012 0.99 CA1 (0.51) CA1CA2CYP3A4GBA1SDCBP
SCHEMBL29383217 0.99 CA1 (0.51) CA1CA2CYP3A4GBA1SDCBP
SCHEMBL15748075 0.86 SMN1; SMN2 (0.41) HDAC1LMNATPSAB1
SCHEMBL15748539 0.86 TPSAB1 (0.42) HDAC1LMNASUCNR1TPSAB1
SCHEMBL26085368 0.85 TPSAB1 (0.47) CA1CA2CYP3A4HDAC1LMNA
SCHEMBL18222840 0.85 GAA (0.43) HDAC1LMNASUCNR1TPSAB1
SCHEMBL18237011 0.84 TPSAB1 (0.46) CA1CA2CYP3A4HDAC1LMNA
SCHEMBL29386153 0.84 TPSAB1 (0.46) CA1CA2CYP3A4HDAC1LMNA
SCHEMBL16616006 0.83 NAMPT (0.53) CA1CA2SDCBPSDC2NAMPT
SCHEMBL18222828 0.82 MEN1 (0.36) CA1CA2HDAC1LMNATPSAB1

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-20230310643-A1 EXTRACORPOREAL CLEARING TRAPS BASED ON INVERSE ELECTRON DEMAND DIELS-ALDER CYCLOADDITION FOR (PRE)-TARGETED THERAPY AND DIAGNOSTICS RIGSHOSPITALET (DK) 2023-10-05 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-20230310643-A1 EXTRACORPOREAL CLEARING TRAPS BASED ON INVERSE ELECTRON DEMAND DIELS-ALDER CYCLOADDITION FOR (PRE)-TARGETED THERAPY AND DIAGNOSTICS ECE1, ELANE, EDNRA CA1 3300/4885CA2 4166/4885CYP3A4 2530/4885

“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.