SCHEMBL13414484

SCHEMBL13414484

CC1(C)c2cc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccccc5)c5ccccc5)ccc3-4)ccc2-c2ccc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccccc5)c5ccccc5)ccc3-4)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.40
RELA Q04206 2/20 0.39
APP P05067 3/20 0.37
ALDH1A1 P00352 4/20 0.34
MAPT P10636 4/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
CYP1A2 P05177 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
MAPK1 P28482 2/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL1103697 1.00 PDK2 (0.40) PDK2RELAAPPALDH1A1MAPT
SCHEMBL2757066 0.98 PDK2 (0.43) PDK2RELAAPPALDH1A1MAPT
SCHEMBL12887533 0.98 PDK2 (0.43) PDK2RELAAPPALDH1A1MAPT
SCHEMBL15128937 0.98 PDK2 (0.43) PDK2RELAAPPALDH1A1MAPT
SCHEMBL13007026 0.97 PDK2 (0.39) PDK2RELAAPPALDH1A1MAPT
SCHEMBL13371935 0.96 PDK2 (0.44) PDK2RELAAPPALDH1A1MAPT
SCHEMBL13414541 0.96 PDK2 (0.44) PDK2RELAAPPALDH1A1MAPT
SCHEMBL13371998 0.96 PDK2 (0.44) PDK2RELAAPPALDH1A1MAPT
SCHEMBL10042515 0.95 PDK2 (0.46) PDK2RELAAPPALDH1A1MAPT
SCHEMBL10042577 0.95 PDK2 (0.46) PDK2RELAAPPALDH1A1MAPT

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-20100072888-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-03-25 US disclosed
US-20100072888-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-03-25 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-20100072888-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same AOC2, SCO2, C1S PDK2 2258/4885RELA 2661/4885APP 1423/4885

“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.