SCHEMBL4389217

SCHEMBL4389217

CCCCN1CCN(CCCCN)CC1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.57
GNAO1 P09471 2/20 0.57
GNAI1 P63096 2/20 0.57
SIGMAR1 Q99720 1/20 0.48
DNM1 Q05193 6/20 0.48
ALOX15 P16050 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
EPHX1 P07099 1/20 0.48
KEAP1 Q14145 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL4944738 0.95 GNAI3 (0.63) GNAI3GNAO1GNAI1DNM1MEN1
SCHEMBL4395108 0.93 KEAP1 (0.54) GNAI3GNAO1GNAI1SIGMAR1DNM1
SCHEMBL4392316 0.91 GNAI3 (0.52) GNAI3GNAO1GNAI1SIGMAR1DNM1
SCHEMBL6277287 0.91 GNAI3 (0.63) GNAI3GNAO1GNAI1DNM1ALOX15
SCHEMBL4392829 0.88 ALOX15 (0.65) GNAI3GNAO1GNAI1SIGMAR1ALOX15
SCHEMBL6659463 0.87 GNAI3 (0.62) GNAI3GNAO1GNAI1
SCHEMBL1615517 0.87 ALOX15 (0.61) SIGMAR1ALOX15KEAP1SMN1; SMN2
SCHEMBL4666999 0.87
SCHEMBL6700154 0.86 GNAI3 (0.63) GNAI3GNAO1GNAI1SIGMAR1ALOX15
SCHEMBL856819 0.86 SIGMAR1 (0.48) GNAI3GNAO1GNAI1SIGMAR1ALOX15

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 GNAI3 881/4885GNAO1 191/4885GNAI1 1073/4885

“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.