SCHEMBL2556764

SCHEMBL2556764

CC(C)(O)c1cc(Br)ccc1-n1c2ccccc2c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.38
ALDH1A1 P00352 1/20 0.37
TSPO P30536 2/20 0.36
ACHE P22303 2/20 0.35
BCHE P06276 1/20 0.35
POLB P06746 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RBP4 P02753 1/20 0.33
RAD52 P43351 1/20 0.33
GPR3 P46089 1/20 0.32
BRD4 O60885 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
IDO1 P14902 1/20 0.32

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
SCHEMBL1893467 0.87 TSPO (0.42) SLC22A12ALDH1A1TSPOACHEBCHE
SCHEMBL21102397 0.85 ALDH1A1 (0.36) SLC22A12ALDH1A1TSPOACHEBCHE
SCHEMBL2556933 0.84 ALDH1A1 (0.43) ALDH1A1POLBKDM4EATML3MBTL1
SCHEMBL25799605 0.82 RXFP1 (0.47) SLC22A12KDM4EMEN1KMT2AMAPT
SCHEMBL18613085 0.82 ALDH1A1 (0.37) ALDH1A1POLBKDM4EATML3MBTL1
SCHEMBL25799578 0.81 RXFP1 (0.37) SLC22A12KDM4EMEN1KMT2AMAPT
SCHEMBL1894782 0.81 TSPO (0.38) SLC22A12ALDH1A1TSPOACHEMEN1
SCHEMBL27890474 0.81 TSPO (0.35) ALDH1A1TSPOMEN1KMT2ATP53
SCHEMBL11926705 0.80 ALDH1A1 (0.47) ALDH1A1POLBKDM4EATML3MBTL1
SCHEMBL18593626 0.79 ALDH1A1 (0.36) ALDH1A1POLBKDM4EATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422287-B2 Bridged triarylamines and -phosphines as materials for electronic devices MERCK PATENT GMBH (DE) 2016-08-23 US disclosed
US-9422287-B2 Bridged triarylamines and -phosphines as materials for electronic devices MERCK PATENT GMBH (DE) 2016-08-23 US disclosed
US-9422287-B2 Bridged triarylamines and -phosphines as materials for electronic devices MERCK PATENT GMBH (DE) 2016-08-23 US disclosed
US-20130026422-A1 BRIDGED TRIARYLAMINES AND -PHOSPHINES AS MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2013-01-31 US disclosed
US-20130026422-A1 BRIDGED TRIARYLAMINES AND -PHOSPHINES AS MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2013-01-31 US disclosed
US-20130026422-A1 BRIDGED TRIARYLAMINES AND -PHOSPHINES AS MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2013-01-31 US disclosed
WO-2011128017-A1 BRIDGED TRIARYLAMINES AND -PHOSPHINES AS MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2011-10-20 WO disclosed
WO-2011128017-A1 BRIDGED TRIARYLAMINES AND -PHOSPHINES AS MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2011-10-20 WO disclosed
EP-2182040-A2 Aromatic compounds and organic electronic device using the same Gracel Display Inc. (KR) 2010-05-05 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-20130026422-A1 BRIDGED TRIARYLAMINES AND -PHOSPHINES AS MATERIALS FOR ELECTRONIC DEVICES TEC, PNMT, TES SLC22A12 2661/4885ALDH1A1 612/4885TSPO 2141/4885

“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.