SCHEMBL4393776

SCHEMBL4393776

CCCN1CCN(CCCNCCCN2CCN(CCC)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.48
SLC2A1 P11166 2/20 0.44
PAOX Q6QHF9 1/20 0.42
USP2 O75604 1/20 0.42
GNAI3 P08754 2/20 0.42
GNAO1 P09471 2/20 0.42
GNAI1 P63096 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DRD2 P14416 1/20 0.39
SIGMAR1 Q99720 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
SCHEMBL4400511 0.93 ACE2 (0.46) ACE2SLC2A1PAOXGNAI3GNAO1
SCHEMBL13822725 0.91 ACE2 (0.48) ACE2SLC2A1PAOXUSP2GNAI3
SCHEMBL4396749 0.91 ACE2 (0.48) ACE2SLC2A1PAOXUSP2GNAI3
SCHEMBL18121254 0.91 ACE2 (0.48) ACE2SLC2A1PAOXUSP2GNAI3
SCHEMBL5672803 0.87 ACE2 (0.59) ACE2PAOXTP53SMN1; SMN2
SCHEMBL2443844 0.86 ALDH1A1 (0.56) ACE2SLC2A1PAOXUSP2GNAI3
SCHEMBL4396790 0.86 ACE2 (0.48) ACE2SLC2A1PAOXUSP2ALDH1A1
SCHEMBL4401317 0.85 ACE2 (0.58) ACE2SLC2A1SMN1; SMN2DRD2SIGMAR1
SCHEMBL8875471 0.85 ACE2 (0.56) ACE2PAOXTP53SMN1; SMN2
SCHEMBL8876012 0.85 ACE2 (0.56) ACE2PAOXTP53SMN1; SMN2

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.