SCHEMBL16544652

SCHEMBL16544652

CN(C)c1cccc2c1C1(c3ccccc3-2)c2ccccc2-c2cccc(N(C)C)c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.46
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
NSD2 O96028 1/20 0.43
EGFR P00533 1/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
OPRK1 P41145 1/20 0.38
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
CHEK1 O14757 1/20 0.34

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
SCHEMBL16544659 0.96 PDK2 (0.46) PDK2MAPTALDH1A1LMNAL3MBTL1
SCHEMBL19929765 0.89 PDK2 (0.42) PDK2MAPTALDH1A1LMNAL3MBTL1
SCHEMBL16544658 0.81 PDK2 (0.59) PDK2MAPTALDH1A1LMNAL3MBTL1
SCHEMBL18160242 0.79 PDK2 (0.58) PDK2MAPTALDH1A1LMNAL3MBTL1
SCHEMBL15213588 0.79 KDM4E (0.41) PDK2MAPTLMNATDP1KDM4E
SCHEMBL15892349 0.79 PDK2 (0.40) PDK2MAPTALDH1A1LMNAL3MBTL1
SCHEMBL16544657 0.78 PDK2 (0.61) PDK2MAPTALDH1A1LMNAL3MBTL1
SCHEMBL15892338 0.77 PDK2 (0.41) PDK2MAPTALDH1A1LMNAL3MBTL1
SCHEMBL16559094 0.76 DDB1 (0.39) PDK2MAPTALDH1A1LMNAKDM4E
SCHEMBL19733957 0.75 LMNA (0.40) PDK2MAPTALDH1A1LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180019405-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-01-18 US disclosed
US-9812648-B2 Spirobifluorene compounds for organic electroluminescent devices MERCK PATENT GMBH (DE) 2017-11-07 US disclosed
US-20150065730-A1 SPIROBIFLUORENE COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-03-05 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-20180019405-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, EFNA1, EPCAM PDK2 1024/4885MAPT 1878/4885ALDH1A1 33/4885

“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.