SCHEMBL13615838

SCHEMBL13615838

c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(N(c5ccccc5)c5cccc6ccccc56)c5cc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)ccc5c(N(c5ccccc5)c5cccc6ccccc56)c4c3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.38
L3MBTL1 Q9Y468 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
APP P05067 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
HSD17B1 P14061 2/20 0.30
HSD17B2 P37059 2/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL9971932 0.96 SIGMAR1 (0.38) SIGMAR1L3MBTL1CYP1A2ALDH1A1CA12
SCHEMBL14867174 0.96 SIGMAR1 (0.35) SIGMAR1L3MBTL1ALDH1A1CA12CA1
SCHEMBL14867161 0.88 SIGMAR1 (0.40) SIGMAR1L3MBTL1CYP1A2CYP3A4KDM4E
SCHEMBL14867156 0.87 MCL1 (0.42) SIGMAR1CYP1A2CYP2C9CYP2C19CA12
SCHEMBL21031612 0.87 SIGMAR1 (0.40) SIGMAR1L3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL15294240 0.87 SIGMAR1 (0.40) SIGMAR1L3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL17426579 0.87 SIGMAR1 (0.40) SIGMAR1L3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL19799381 0.86 SIGMAR1 (0.36) SIGMAR1L3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL12153412 0.86 SIGMAR1 (0.38) SIGMAR1L3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL13854535 0.85 SIGMAR1 (0.41) SIGMAR1L3MBTL1CYP1A2CYP3A4CYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090273277-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-11-05 US disclosed
US-20090273277-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-11-05 US 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-20090273277-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OCIAD1, ORMDL3, CHRM2 SIGMAR1 966/4885L3MBTL1 283/4885CYP1A2 756/4885

“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.