SCHEMBL13487172

SCHEMBL13487172

CC1(C)c2ccccc2-c2c(-c3c4ccccc4c(-c4cccnc4)c4ccc(-c5cccc6ccccc56)cc34)cccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP11B1 P15538 3/20 0.39
TNF P01375 1/20 0.37
CYP11B2 P19099 2/20 0.35
CYP17A1 P05093 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
HSD17B1 P14061 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B2 P37059 1/20 0.35

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
SCHEMBL13487279 0.91 CYP11B2 (0.48) PDK2KDM4EALDH1A1MAPTHPGD
SCHEMBL13487106 0.90 PDK2 (0.43) PDK2MAPTCYP11B1CYP11B2CYP17A1
SCHEMBL13487981 0.90 PDK2 (0.42) PDK2KDM4EALDH1A1MAPTHPGD
SCHEMBL13487603 0.90 KDM4E (0.41) PDK2KDM4EALDH1A1MAPTHPGD
SCHEMBL13487180 0.89 PDK2 (0.38) PDK2KDM4EALDH1A1MAPTHPGD
SCHEMBL13487357 0.88 PDK2 (0.45) PDK2KDM4ECYP11B1CYP11B2CYP17A1
SCHEMBL13487174 0.88 MAPK11 (0.38) PDK2KDM4EALDH1A1MAPTHPGD
SCHEMBL13487040 0.86 PDK2 (0.43) PDK2KDM4EALDH1A1MAPTHPGD
SCHEMBL13487176 0.86 ALOX5AP (0.34) PDK2KDM4EALDH1A1MAPTHPGD
SCHEMBL13487193 0.86 TNF (0.41) PDK2KDM4EALDH1A1MAPTHPGD

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
US-20100045170-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-25 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-20100045170-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OCIAD1, OCIAD2, ORMDL3 PDK2 1456/4885KDM4E 3671/4885ALDH1A1 101/4885

“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.