SCHEMBL13615638

SCHEMBL13615638

c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c5cc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)ccc5c(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c4c3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ESR1 P03372 3/20 0.36
ESR2 Q92731 3/20 0.36
MEN1 O00255 1/20 0.35
CRHBP P24387 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
CRHR2 Q13324 1/20 0.35
TLR9 Q9NR96 1/20 0.35
ACHE P22303 3/20 0.35
APP P05067 1/20 0.34

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
SCHEMBL12770707 1.00 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP3A4L3MBTL1CYP2D6
SCHEMBL12337529 1.00 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP3A4L3MBTL1CYP2D6
SCHEMBL13615687 1.00 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP3A4L3MBTL1CYP2D6
SCHEMBL12928332 1.00 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP3A4L3MBTL1CYP2D6
SCHEMBL14099683 1.00 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP3A4L3MBTL1CYP2D6
SCHEMBL10304788 1.00 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP3A4L3MBTL1CYP2D6
SCHEMBL13615742 1.00 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP3A4L3MBTL1CYP2D6
SCHEMBL8406135 0.98 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP3A4L3MBTL1CYP2D6
SCHEMBL14284047 0.98 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP3A4L3MBTL1CYP2D6
SCHEMBL490375 0.98 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP3A4L3MBTL1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021136055-A1 NITROGEN-CONTAINING ORGANIC COMPOUND, USE THEREOF, AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 陕西莱特光电材料股份有限公司 2021-07-08 WO disclosed
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
EP-2103666-A2 Novel organic electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2009-09-23 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-20090273277-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OCIAD1, ORMDL3, CHRM2 ALDH1A1 818/4885CYP1A2 756/4885CYP3A4 989/4885

“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.