SCHEMBL4874529

SCHEMBL4874529

C[Si](C)(C)c1ccc(-c2ccc(Br)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
MAPK1 P28482 1/20 0.48
CYP2A6 P11509 1/20 0.42
GAA P10253 2/20 0.40
NPC1 O15118 6/20 0.39
RAB9A P51151 6/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
DGAT1 O75907 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
SCN5A Q14524 1/20 0.38
TSHR P16473 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL15678827 0.93 ALDH1A1 (0.42) ALDH1A1MAPK1CYP2A6GAANPC1
SCHEMBL570229 0.92 CYP2A6 (0.50) ALDH1A1MAPK1CYP2A6GAANPC1
SCHEMBL8349228 0.89 CYP2A6 (0.47) ALDH1A1MAPK1CYP2A6GAANPC1
SCHEMBL10997473 0.86 NR1H2 (0.44) ALDH1A1SMN1; SMN2SCN5ALMNAHPGD
SCHEMBL15679981 0.80 ALDH1A1 (0.44) ALDH1A1MAPK1CYP2A6GAANPC1
SCHEMBL15906973 0.78 CYP2A6 (0.36) ALDH1A1CYP2A6CA2TSHRNR1H2
SCHEMBL30307069 0.78 RAB9A (0.50) ALDH1A1CYP2A6NPC1RAB9AKDM4E
SCHEMBL19624747 0.78 CYP2A6 (0.36) ALDH1A1CYP2A6CA2TSHRNR1H2
SCHEMBL25008803 0.78 ALDH1A1 (0.48) ALDH1A1MAPK1GAANPC1RAB9A
SCHEMBL14553136 0.78 ESR1 (0.41) MAPK1NPC1RAB9ASMN1; SMN2SCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240284777-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-08-22 US disclosed
US-10629830-B2 Organic electroluminescent device SAMSUNG DISPLAY CO., LTD. (KR) 2020-04-21 US disclosed
US-20180019416-A1 ORGANIC ELECTROLUMINESCENT DEVICE SAMSUNG DISPLAY CO LTD (KR) 2018-01-18 US disclosed
US-9780317-B2 Amine derivative, organic luminescent material and organic electroluminescent device using the amine derivative or the organic luminescent material SAMSUNG DISPLAY CO., LTD. (KR) 2017-10-03 US disclosed
US-9627634-B2 Heterocyclic compound and organic light-emitting diode including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-04-18 US disclosed
US-9627634-B2 Heterocyclic compound and organic light-emitting diode including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-04-18 US disclosed
US-20150270502-A1 AMINE DERIVATIVE, ORGANIC LUMINESCENT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE AMINE DERIVATIVE OR THE ORGANIC LUMINESCENT MATERIAL SAMSUNG DISPLAY CO., LTD. (KP) 2015-09-24 US disclosed
US-20150041775-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-02-12 US disclosed
US-20150041775-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-02-12 US disclosed
US-20080039581-A1 Triarylamine Compounds, Compositions and Devices MERCK PATENT GMBH (DE) 2008-02-14 US disclosed
US-20080039581-A1 Triarylamine Compounds, Compositions and Devices MERCK PATENT GMBH (DE) 2008-02-14 US disclosed
US-20080039581-A1 Triarylamine Compounds, Compositions and Devices MERCK PATENT GMBH (DE) 2008-02-14 US disclosed
EP-1781592-A1 TRIARYLAMINE COMPOUNDS, COMPOSITIONS AND DEVICES Merck Patent GmbH (DE) 2007-05-09 EP disclosed
WO-2006010555-A1 TRIARYLAMINE COMPOUNDS, COMPOSITIONS AND DEVICES MERCK PATENT GMBH (DE) 2006-02-02 WO 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 (5 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-20180019416-A1 ORGANIC ELECTROLUMINESCENT DEVICE ARL1, RIF1, LARS1 ALDH1A1 531/4885MAPK1 861/4885CYP2A6 3610/4885
US-10629830-B2 Organic electroluminescent device ARL1, RIF1, LARS1 ALDH1A1 531/4885MAPK1 861/4885CYP2A6 3610/4885
US-20150270502-A1 AMINE DERIVATIVE, ORGANIC LUMINESCENT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE AMINE DERIVATIVE OR THE ORGANIC LUMINESCENT MATERIAL ARL1, RIF1, LARS1 ALDH1A1 591/4885MAPK1 854/4885CYP2A6 4044/4885
US-20080039581-A1 Triarylamine Compounds, Compositions and Devices RER1, F3, PRMT1 ALDH1A1 980/4885MAPK1 1377/4885CYP2A6 673/4885
US-20240284777-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, ODC1 ALDH1A1 396/4885MAPK1 3353/4885CYP2A6 2433/4885

“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.