SCHEMBL4398797

SCHEMBL4398797

C(CCN1CCOCC1)C[N]CCCCN1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HPGD P15428 1/20 0.46
DUSP3 P51452 1/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
SIGMAR1 Q99720 2/20 0.44
POLB P06746 1/20 0.44
KDM1A O60341 2/20 0.44
HRH3 Q9Y5N1 2/20 0.42
MAPK1 P28482 2/20 0.41
PAOX Q6QHF9 1/20 0.41
HIF1A Q16665 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
CYP1A2 P05177 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
HTR2A P28223 1/20 0.41
SCN1A P35498 1/20 0.41

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
SCHEMBL5910714 0.93 KEAP1 (0.58) KEAP1SMN1; SMN2HPGDDUSP3ALDH1A1
SCHEMBL7103406 0.88 KEAP1 (0.68) KEAP1SMN1; SMN2HPGDDUSP3ALDH1A1
SCHEMBL16173592 0.88 KEAP1 (0.68) KEAP1SMN1; SMN2HPGDDUSP3ALDH1A1
SCHEMBL11609926 0.88 KEAP1 (0.68) KEAP1SMN1; SMN2HPGDDUSP3ALDH1A1
SCHEMBL9740021 0.88 KEAP1 (0.68) KEAP1SMN1; SMN2HPGDDUSP3ALDH1A1
SCHEMBL9738476 0.88 KEAP1 (0.68) KEAP1SMN1; SMN2HPGDDUSP3ALDH1A1
SCHEMBL7239607 0.85 KEAP1 (0.71) KEAP1SMN1; SMN2HPGDDUSP3ALDH1A1
SCHEMBL5496326 0.83 KDM4E (0.50) KEAP1SMN1; SMN2HPGDDUSP3ALDH1A1
SCHEMBL8410523 0.81 KEAP1 (0.46) KEAP1SMN1; SMN2HPGDDUSP3ALDH1A1
SCHEMBL11724156 0.81 KEAP1 (0.46) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME MITSUI CHEMICALS, INC. (JP) 2009-12-10 US disclosed
US-20070054084-A1 Optical recording medium and compound used for the same MITSUI CHEMICALS, INC. (JP) 2007-03-08 US disclosed
EP-1672626-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED IN THE OPTICAL RECORDING MEDIUM Mitsui Chemicals, Inc. (JP) 2006-06-21 EP 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-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME CACNA1B, KCNN4, KCNN2 KEAP1 3863/4885SMN1; SMN2 728/4885HPGD 2788/4885

“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.