SCHEMBL4398090

SCHEMBL4398090

CCN1CCN(CCCCNCCCCN2CCN(CC)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.46
PAOX Q6QHF9 1/20 0.41
GNAI3 P08754 1/20 0.41
GNAO1 P09471 1/20 0.41
GNAI1 P63096 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
SLC2A1 P11166 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.38
KDM1A O60341 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL4396790 0.93 ACE2 (0.48) ACE2PAOXALDH1A1SLC2A1KDM1A
SCHEMBL13655836 0.87 ACE2 (0.43) ACE2PAOXGNAI3GNAO1GNAI1
SCHEMBL4395685 0.86 ALDH1A1 (0.52) ACE2PAOXGNAI3GNAO1GNAI1
SCHEMBL4400511 0.86 ACE2 (0.46) ACE2PAOXGNAI3GNAO1GNAI1
SCHEMBL6663102 0.85 GNAI3 (0.50) GNAI3GNAO1GNAI1ALDH1A1KDM4E
SCHEMBL17277917 0.84 CYP2C19 (0.44) ACE2PAOXALDH1A1TSHRSLC2A1
SCHEMBL4392290 0.84 PAOX (0.48) ACE2PAOXGNAI3GNAO1GNAI1
SCHEMBL12612802 0.84 CYP2C19 (0.52) ACE2PAOXGNAI3GNAO1GNAI1
SCHEMBL4399963 0.83 ACE2 (0.58) ACE2ALDH1A1SLC2A1KDM1A
SCHEMBL8875471 0.83 ACE2 (0.56) ACE2PAOXCYP2C19KDM1A

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 2695/4885PAOX 3615/4885GNAI3 881/4885

“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.