SCHEMBL6408637

SCHEMBL6408637

[CH](CCCN1CCOCC1)CCCN1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HPGD P15428 1/20 0.47
DUSP3 P51452 1/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 2/20 0.46
SIGMAR1 Q99720 3/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 3/20 0.42
HIF1A Q16665 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
CYP1A2 P05177 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
HTR2A P28223 1/20 0.42
SCN1A P35498 1/20 0.42
HTR2B P41595 1/20 0.42
KCNH2 Q12809 1/20 0.42
SCN2A Q99250 1/20 0.42

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
SCHEMBL4526651 0.89 KEAP1 (0.52) KEAP1SMN1; SMN2HPGDDUSP3ALDH1A1
SCHEMBL5319576 0.88 KEAP1 (0.47) KEAP1SMN1; SMN2HPGDDUSP3ALDH1A1
SCHEMBL4442430 0.87 KEAP1 (0.50) KEAP1SMN1; SMN2HPGDDUSP3ALDH1A1
SCHEMBL9862687 0.87 ALDH1A1 (0.50) KEAP1SMN1; SMN2HPGDDUSP3ALDH1A1
SCHEMBL646005 0.85 KDM4E (0.50) KEAP1SMN1; SMN2HPGDDUSP3ALDH1A1
SCHEMBL5419101 0.84 KEAP1 (0.47) KEAP1SMN1; SMN2HPGDDUSP3ALDH1A1
SCHEMBL170765 0.82 KEAP1 (0.54) KEAP1SMN1; SMN2HPGDDUSP3ALDH1A1
SCHEMBL15154484 0.82 KEAP1 (0.54) KEAP1SMN1; SMN2HPGDDUSP3ALDH1A1
SCHEMBL6592729 0.82 KEAP1 (0.59) KEAP1SMN1; SMN2HPGDDUSP3ALDH1A1
SCHEMBL1446165 0.82 KEAP1 (0.54) KEAP1SMN1; SMN2HPGDDUSP3ALDH1A1

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-20050014773-A1 Therapeutic use ASTRAZENACA AB (SE) 2005-01-20 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-20050014773-A1 Therapeutic use CD4, HLA-DRB1, CD74 KEAP1 3355/4885SMN1; SMN2 2546/4885HPGD 1735/4885

“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.