SCHEMBL2228899

SCHEMBL2228899

CC(C)(O)c1ccccc1-n1c2ccc(Br)cc2c2cc(-c3ccccc3)ccc21

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
TSPO P30536 3/20 0.34
NR4A2 P43354 2/20 0.33
DNM1 Q05193 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
PPARG P37231 1/20 0.32
CYP2C9 P11712 1/20 0.32
PTGES2 Q9H7Z7 2/20 0.32
PTGES O14684 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
MAPT P10636 1/20 0.32
DNMT1 P26358 1/20 0.32
GRM2 Q14416 1/20 0.32
PGR P06401 1/20 0.32
WDR5 P61964 1/20 0.31

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
SCHEMBL27890474 0.88 TSPO (0.35) ALDH1A1TSPOMEN1KMT2AMAPT
SCHEMBL1893467 0.87 TSPO (0.42) ALDH1A1TSPODNM1MEN1KMT2A
SCHEMBL12166087 0.81 ACHE (0.35) ALDH1A1MAPK1TSPOMEN1KMT2A
SCHEMBL12166092 0.80 KRAS (0.35) ALDH1A1MAPK1TSPOMEN1KMT2A
SCHEMBL26529639 0.80 TSPO (0.35) ALDH1A1TSPODNM1MEN1KMT2A
SCHEMBL26529253 0.79 GRM2 (0.35) TSPONR4A2PTGES2PTGESGRM2
SCHEMBL26529188 0.79 GRM2 (0.35) TSPONR4A2PTGES2PTGESGRM2
SCHEMBL12166093 0.77 DDB1 (0.33) ALDH1A1TSPOSLC22A12MAPT
SCHEMBL13974303 0.77 ALDH1A1 (0.42) ALDH1A1MAPK1TSPONR4A2DNM1
SCHEMBL27119982 0.76 TSPO (0.41) ALDH1A1MAPK1TSPODNM1MEN1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11441073-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2022-09-13 US disclosed
US-11377596-B2 Liquid-crystalline media MERCK PATENT GMBH (DE) 2022-07-05 US disclosed
US-9708262-B2 Compounds for electronic devices MERCK PATENT GMBH (DE) 2017-07-18 US disclosed
US-9708262-B2 Compounds for electronic devices MERCK PATENT GMBH (DE) 2017-07-18 US disclosed
US-9708262-B2 Compounds for electronic devices MERCK PATENT GMBH (DE) 2017-07-18 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-9422287-B2 Bridged triarylamines and -phosphines as materials for electronic devices MERCK PATENT GMBH (DE) 2016-08-23 US disclosed
US-9324954-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2016-04-26 US disclosed
US-20160053178-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2016-02-25 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
US-20120292576-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-11-22 US disclosed
US-20120292576-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-11-22 US disclosed
CN-102725268-A Compounds for electronic devices MERCK PATENT GMBH 2012-10-10 CN 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
WO-2011088877-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2011-07-28 WO disclosed
WO-2011088877-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2011-07-28 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 (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-20130026422-A1 BRIDGED TRIARYLAMINES AND -PHOSPHINES AS MATERIALS FOR ELECTRONIC DEVICES TEC, PNMT, TES ALDH1A1 612/4885MAPK1 301/4885TSPO 2141/4885
US-20120292576-A1 COMPOUNDS FOR ELECTRONIC DEVICES SLCO4C1, SLCO1A2, SLCO2A1 ALDH1A1 588/4885MAPK1 999/4885TSPO 798/4885

“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.