SCHEMBL4396790

SCHEMBL4396790

CCN1CCN(CCCNCCCN2CCN(CC)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.48
SLC2A1 P11166 1/20 0.44
PAOX Q6QHF9 1/20 0.42
ALDH1A1 P00352 1/20 0.41
ACHE P22303 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.39
USP2 O75604 1/20 0.39
KDM1A O60341 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL13655836 0.94 ACE2 (0.43) ACE2SLC2A1PAOXALDH1A1ACHE
SCHEMBL4398090 0.93 ACE2 (0.46) ACE2SLC2A1PAOXALDH1A1KDM1A
SCHEMBL17277917 0.91 CYP2C19 (0.44) ACE2SLC2A1PAOXALDH1A1ACHE
SCHEMBL5672803 0.87 ACE2 (0.59) ACE2PAOXTP53SMN1; SMN2KDM1A
SCHEMBL13822725 0.86 ACE2 (0.48) ACE2SLC2A1PAOXALDH1A1TP53
SCHEMBL18121254 0.86 ACE2 (0.48) ACE2SLC2A1PAOXALDH1A1TP53
SCHEMBL4393776 0.86 ACE2 (0.48) ACE2SLC2A1PAOXALDH1A1TP53
SCHEMBL4396749 0.86 ACE2 (0.48) ACE2SLC2A1PAOXALDH1A1TP53
SCHEMBL4399963 0.85 ACE2 (0.58) ACE2SLC2A1ALDH1A1KDM1A
SCHEMBL8875471 0.85 ACE2 (0.56) ACE2PAOXTP53SMN1; SMN2KDM1A

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 ACE2 2695/4885SLC2A1 3034/4885PAOX 3615/4885

“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.