SCHEMBL5012176

SCHEMBL5012176

C[Si](C)(C)c1ccc(Br)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.40
PKM P14618 1/20 0.37
CYP1A2 P05177 1/20 0.35
HTR6 P50406 1/20 0.35
MAPK10 P53779 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
IDO1 P14902 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 1/20 0.34
EPHX1 P07099 1/20 0.34
ALDH1A1 P00352 4/20 0.33
KMT2A Q03164 4/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 3/20 0.33
APAF1 O14727 2/20 0.33
TDP2 O95551 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33

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
SCHEMBL29065925 0.86 IDO1 (0.42) RXFP1CYP1A2IDO1ALDH1A1KMT2A
SCHEMBL347061 0.85 IDO1 (0.41) CYP1A2IDO1LMNAALDH1A1KMT2A
SCHEMBL12031830 0.78 IDO1 (0.38) CYP1A2IDO1LMNAALDH1A1KMT2A
SCHEMBL30710586 0.77 RXFP1 (0.48) RXFP1PKMCYP1A2HTR6L3MBTL1
SCHEMBL198796 0.77 RXFP1 (0.48) RXFP1PKMCYP1A2HTR6L3MBTL1
SCHEMBL29429114 0.77 RXFP1 (0.48) RXFP1PKMCYP1A2HTR6L3MBTL1
SCHEMBL12031824 0.74 IDO1 (0.39) CYP1A2IDO1L3MBTL1ALDH1A1MAPT
SCHEMBL14999151 0.74 CYP1A2 (0.62) CYP1A2IDO1L3MBTL1ALDH1A1KMT2A
SCHEMBL7737512 0.74 RXFP1 (0.33) RXFP1PKML3MBTL1LMNAALDH1A1
SCHEMBL13995079 0.73 IDO1 (0.34) IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957604-B1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-09-23 EP disclosed
EP-1957604-B1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-09-23 EP disclosed
US-8795847-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2014-08-05 US disclosed
US-8795847-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2014-08-05 US disclosed
US-8795847-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2014-08-05 US disclosed
CN-103917516-A Benzofluorene compound, material for light-emitting layer using same, and organic electroluminescent element JNC CORP 2014-07-09 CN disclosed
US-20080303003-A1 Novel Materials for Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-12-11 US disclosed
US-20080303003-A1 Novel Materials for Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-12-11 US disclosed
EP-1957604-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2008-08-20 EP disclosed
WO-2007065550-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2007-06-14 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 (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-20080303003-A1 Novel Materials for Organic Electroluminescent Devices ANXA2, ANXA3, ANXA1 RXFP1 4780/4885PKM 1982/4885CYP1A2 2362/4885

“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.