SCHEMBL13487102

SCHEMBL13487102

CC1(C)c2ccccc2-c2c(-c3c4ccccc4c(-c4ccccn4)c4ccc(-c5ccccc5)cc34)cccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.36
DHODH Q02127 2/20 0.34
HTR2C P28335 1/20 0.34
GRM5 P41594 4/20 0.33
TSHR P16473 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
KLF5 Q13887 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PIK3CA P42336 1/20 0.32
MAT2A P31153 1/20 0.31
BRD4 O60885 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
SCHEMBL13487136 0.94 PDK2 (0.36) PDK2DHODHHTR2CGRM5TSHR
SCHEMBL13487353 0.93 PDK2 (0.41) PDK2DHODHHTR2CHSD17B10MAPK1
SCHEMBL13487273 0.90 KDM4E (0.38) PDK2DHODHHTR2CTSHRHSD17B10
SCHEMBL13487109 0.90 PIK3CA (0.32) PDK2PIK3CAACVR1
SCHEMBL13487110 0.89 PDK2 (0.35) PDK2DHODHPIK3CA
SCHEMBL13487170 0.89 HTR2C (0.42) PDK2DHODHHTR2CHSD17B10MAPK1
SCHEMBL13487112 0.88 SCN9A (0.36) PDK2GRM5PIK3CAROCK1
SCHEMBL13487898 0.87 PDK2 (0.42) PDK2DHODHHTR2CGRM5TSHR
SCHEMBL13487394 0.87 PDK2 (0.41) PDK2DHODHHTR2CKDM4EBRD4
SCHEMBL13487507 0.86 PDK2 (0.39) PDK2DHODHHTR2CGRM5TSHR

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-20100045170-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-25 US disclosed
EP-2108689-A2 Novel organic electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2009-10-14 EP 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-20100045170-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OCIAD1, OCIAD2, ORMDL3 PDK2 1456/4885DHODH 354/4885HTR2C 4442/4885

“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.