SCHEMBL25567249

SCHEMBL25567249

CCCN(C)C(=O)CCC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KDM5A P29375 1/20 0.32
▸ KDM4C Q9H3R0 1/20 0.32
▸ CA12 O43570 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ DNM1 Q05193 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.30
▸ BCHE P06276 1/20 0.30
▸ ACHE P22303 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL22021683 0.87 NAMPT (0.32) EPHX2CNR1NPC1
SCHEMBL12793200 0.83 EPHX2 (0.36) EPHX2CNR1ALDH1A1SIGMAR1BCHE
SCHEMBL21376559 0.83 EPHX2 (0.36) EPHX2CNR1ALDH1A1HPGDSIGMAR1
SCHEMBL13407584 0.83 CHRM2 (0.33) KDM5AKDM4CDNM1
SCHEMBL21341604 0.83 LMNA (0.34) ALDH1A1NPC1
SCHEMBL12209818 0.80 ALDH1A1 (0.42) EPHX2CNR1ALDH1A1HPGDKDM5A
SCHEMBL13964304 0.79 ALDH1A1 (0.50) EPHX2CNR1ALDH1A1KDM5AKDM4C
SCHEMBL22021691 0.79 EPHX2 (0.50) EPHX2CNR1ALDH1A1KDM5AKDM4C
SCHEMBL20129897 0.78 ALDH1A1 (0.36) EPHX2CNR1ALDH1A1HPGDKDM5A
SCHEMBL17615113 0.78 NPC1 (0.31) NPC1

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-20230158157-A1 POTENT AND SELECTIVE DEGRADERS OF ALK DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-05-25 — — 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 (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-20230158157-A1 POTENT AND SELECTIVE DEGRADERS OF ALK ALK, ERBB2, PDGFRB EPHX2 1951/4885CNR1 1114/4885ALDH1A1 2106/4885

“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.

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