SCHEMBL14666376

SCHEMBL14666376

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
POLB P06746 3/20 0.55
KDM4E B2RXH2 4/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
NSD2 O96028 1/20 0.44
MCL1 Q07820 1/20 0.44
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
NOD2 Q9HC29 1/20 0.43
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CREBBP Q92793 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
HTT P42858 1/20 0.42
BRD4 O60885 1/20 0.42
HPGD P15428 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL22129117 0.85 ALDH1A1 (0.49) ALDH1A1POLBKDM4EMAPTKMT2A
SCHEMBL29420621 0.85 ALDH1A1 (0.49) ALDH1A1POLBKDM4EMAPTKMT2A
SCHEMBL14657482 0.83 ALDH1A1 (0.73) ALDH1A1POLBKDM4ELMNAL3MBTL1
SCHEMBL17059041 0.82 ALDH1A1 (0.49) ALDH1A1POLBKDM4EMAPTKMT2A
SCHEMBL2555522 0.81 ALDH1A1 (0.57) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL19680952 0.79 ALDH1A1 (0.73) ALDH1A1POLBKDM4EMAPTKMT2A
SCHEMBL17850972 0.79 ALDH1A1 (0.57) ALDH1A1POLBKDM4EKMT2AL3MBTL1
SCHEMBL29453527 0.78 ALDH1A1 (0.71) ALDH1A1POLBKDM4ELMNAL3MBTL1
SCHEMBL29453524 0.76 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL14656781 0.75 ALDH1A1 (0.61) ALDH1A1POLBKDM4EKMT2AMEN1

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 2 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-20130026422-A1 BRIDGED TRIARYLAMINES AND -PHOSPHINES AS MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2013-01-31 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-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.