SCHEMBL8040513

SCHEMBL8040513

c1ccc(N(c2cc(N(c3ccccc3)c3cccc4ccccc34)cc(N(c3ccccc3)c3cccc4ccccc34)c2)c2cccc3ccccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.47
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP2A6 P11509 2/20 0.37
TSHR P16473 2/20 0.37
HIF1A Q16665 1/20 0.37
CYP1B1 Q16678 1/20 0.37
DHFR P00374 1/20 0.36
HPGD P15428 1/20 0.35
KEAP1 Q14145 1/20 0.35

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
SCHEMBL10338332 0.96 SIGMAR1 (0.47) SIGMAR1L3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL13608525 0.94 SIGMAR1 (0.44) SIGMAR1L3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL29906514 0.94 SIGMAR1 (0.51) SIGMAR1L3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL272955 0.94 SIGMAR1 (0.51) SIGMAR1L3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL27930666 0.92 SIGMAR1 (0.45) SIGMAR1L3MBTL1CYP1A2CYP3A4CYP2D6
Water SCHEMBL10786412 0.92 SIGMAR1 (0.50) SIGMAR1L3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL4893902 0.92 SIGMAR1 (0.50) SIGMAR1L3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL2362015 0.92 SIGMAR1 (0.50) SIGMAR1L3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL4580501 0.92 SIGMAR1 (0.50) SIGMAR1L3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL11891636 0.91 SIGMAR1 (0.42) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5985417-A Polymer stabilized molecular whole transporting materials for organic electroluminescence displays MOTOROLA, INC. (US) 1999-11-16 US claimed
US-10381571-B2 Compound, organic light emitting element comprising same, and display device comprising organic light emitting element SAMSUNG SDI CO., LTD. (KR) 2019-08-13 US disclosed
US-20150380659-A1 COMPOUND, ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME, AND DISPLAY DEVICE COMPRISING ORGANIC LIGHT EMITTING ELEMENT SAMSUNG SDI CO., LTD. (KR) 2015-12-31 US disclosed
US-20150380659-A1 COMPOUND, ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME, AND DISPLAY DEVICE COMPRISING ORGANIC LIGHT EMITTING ELEMENT SAMSUNG SDI CO., LTD. (KR) 2015-12-31 US disclosed
US-6084347-A Multicolored organic electroluminescent display MOTOROLA, INC. (US) 2000-07-04 US disclosed
US-5985417-A Polymer stabilized molecular whole transporting materials for organic electroluminescence displays MOTOROLA, INC. (US) 1999-11-16 US disclosed
US-5705285-A Multicolored organic electroluminescent display MOTOROLA, INC. (US) 1998-01-06 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 (2 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-10381571-B2 Compound, organic light emitting element comprising same, and display device comprising organic light emitting element OR51E2, OR10J3, AOX1 SIGMAR1 1368/4885L3MBTL1 2185/4885CYP1A2 195/4885
US-20150380659-A1 COMPOUND, ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME, AND DISPLAY DEVICE COMPRISING ORGANIC LIGHT EMITTING ELEMENT OR51E2, OR10J3, AOX1 SIGMAR1 1368/4885L3MBTL1 2185/4885CYP1A2 195/4885

“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.