SCHEMBL2556933

SCHEMBL2556933

CC(C)(O)c1cc(-n2c3ccccc3c3ccccc32)c(C(C)(C)O)cc1-n1c2ccccc2c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GPR3 P46089 1/20 0.39
CYP11B2 P19099 4/20 0.35
CYP11B1 P15538 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KIF11 P52732 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
PER2 O15055 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
SCHEMBL11926705 0.85 ALDH1A1 (0.47) ALDH1A1POLBKDM4EATML3MBTL1
SCHEMBL18624221 0.85 MAPT (0.41) ALDH1A1POLBKDM4EATML3MBTL1
SCHEMBL2559785 0.84 KDM4E (0.47) ALDH1A1KDM4EATML3MBTL1CYP11B2
SCHEMBL2556764 0.84 SLC22A12 (0.38) ALDH1A1POLBKDM4EATML3MBTL1
SCHEMBL18613085 0.84 ALDH1A1 (0.37) ALDH1A1POLBKDM4EATML3MBTL1
SCHEMBL18593626 0.81 ALDH1A1 (0.36) ALDH1A1POLBKDM4EATML3MBTL1
SCHEMBL18639317 0.81 MAPT (0.48) ALDH1A1KDM4EL3MBTL1CYP11B2CYP11B1
SCHEMBL2557956 0.79 ALDH1A1 (0.45) ALDH1A1POLBKDM4EATML3MBTL1
SCHEMBL13353920 0.78 POLB (0.41) ALDH1A1POLBKDM4EATML3MBTL1
SCHEMBL30301263 0.77 ALDH1A1 (0.37) 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 8 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

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 ALDH1A1 612/4885POLB 1474/4885KDM4E 2344/4885

“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.