SCHEMBL4456641

SCHEMBL4456641

NC(=O)CNCC1CCCO1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
KDM4E B2RXH2 4/20 0.56
LMNA P02545 1/20 0.56
ANPEP P15144 1/20 0.53
USP2 O75604 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HPGD P15428 4/20 0.51
TP53 P04637 1/20 0.50
ALOX12 P18054 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HTT P42858 1/20 0.47
TSHR P16473 2/20 0.46
MCL1 Q07820 1/20 0.46
GAA P10253 2/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL1813941 0.84 ALDH1A1 (0.61) ALDH1A1KDM4ELMNAANPEPUSP2
SCHEMBL12226424 0.82 ALDH1A1 (0.56) ALDH1A1KDM4ELMNAANPEPUSP2
SCHEMBL14744489 0.79
SCHEMBL14744490 0.79
SCHEMBL2561552 0.79
SCHEMBL27032972 0.79 ALDH1A1 (0.56) ALDH1A1KDM4ELMNAANPEPUSP2
SCHEMBL611743 0.78 KMT2A (0.53) ALDH1A1KDM4ELMNAANPEPUSP2
SCHEMBL4812101 0.78 SMN1; SMN2 (0.64) KDM4ELMNAUSP2SMN1; SMN2HPGD
SCHEMBL30223355 0.78 SMN1; SMN2 (0.64) KDM4ELMNAUSP2SMN1; SMN2HPGD
SCHEMBL30223215 0.78 SMN1; SMN2 (0.64) KDM4ELMNAUSP2SMN1; SMN2HPGD

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-20090298781-A1 COMPOUNDS FOR THE INHIBITION OF APOPTOSIS CONSEJO SUPERIOR DE (ES) 2009-12-03 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-20090298781-A1 COMPOUNDS FOR THE INHIBITION OF APOPTOSIS BAX, BCL2, CASP3 ALDH1A1 1468/4885KDM4E 3944/4885LMNA 120/4885

“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.