SCHEMBL5014513

SCHEMBL5014513

Cc1ccc(-c2c3ccccc3c(-c3ccc([Si](C)(C)C)c4ccccc34)c3ccccc23)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.48
CYP2A6 P11509 3/20 0.38
MAPT P10636 6/20 0.36
TDP1 Q9NUW8 3/20 0.36
HIF1A Q16665 3/20 0.36
EPAS1 Q99814 3/20 0.36
CES2 O00748 2/20 0.36
KDM1A O60341 2/20 0.36
CES1 P23141 2/20 0.36
PTPN6 P29350 2/20 0.36
BLM P54132 2/20 0.36
PTPN11 Q06124 2/20 0.36
POLB P06746 2/20 0.36
EED O75530 1/20 0.36
SUZ12 Q15022 1/20 0.36
EZH2 Q15910 1/20 0.36
NSD1 Q96L73 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KDM4E B2RXH2 4/20 0.35
PABPC1 P11940 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
SCHEMBL13995079 0.90 IDO1 (0.34) IDO1
SCHEMBL5135430 0.90 IDO1 (0.34) IDO1
SCHEMBL13995069 0.88 IDO1 (0.33) IDO1
SCHEMBL14999151 0.88 CYP1A2 (0.62) CYP1A2CYP2A6MAPTTDP1KDM4E
SCHEMBL29416731 0.84 CYP1A2 (0.68) CYP1A2CYP2A6MAPTTDP1HIF1A
SCHEMBL2380918 0.84 CYP1A2 (0.68) CYP1A2CYP2A6MAPTTDP1HIF1A
SCHEMBL260441 0.84 CYP1A2 (0.68) CYP1A2CYP2A6MAPTTDP1HIF1A
SCHEMBL13995084 0.83 ACHE (0.33) CYP1A2MAPTTDP1KDM4EHPGD
SCHEMBL24648194 0.80 GPR84 (0.36) MAPTTDP1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL13995059 0.80 DHFR (0.45) MAPTTDP1KDM4ESMN1; SMN2ALDH1A1

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
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
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

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 CYP1A2 2362/4885CYP2A6 4103/4885MAPT 1988/4885

“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.