SCHEMBL1105443

SCHEMBL1105443

Cc1ccc2cc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccncc34)ccc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 2/20 0.35
PDK2 Q15119 6/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP17A1 P05093 2/20 0.33
GSK3B P49841 1/20 0.33
QPCT Q16769 1/20 0.33
CYP11B1 P15538 4/20 0.32
CYP11B2 P19099 4/20 0.32
KDR P35968 2/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL1102625 0.94 TDO2 (0.38) TDO2PDK2CYP17A1CYP11B1CYP11B2
SCHEMBL1102596 0.93 PDK2 (0.39) TDO2PDK2CYP17A1CYP11B1CYP11B2
SCHEMBL1103653 0.93 GSK3B (0.36) PDK2MAPTKDM4EMEN1ALDH1A1
SCHEMBL10072718 0.92 CYP17A1 (0.37) TDO2MAPTKDM4EMEN1ALDH1A1
SCHEMBL1102725 0.92 CYP11B1 (0.39) TDO2PDK2CYP17A1CYP11B1CYP11B2
SCHEMBL1102662 0.91 PDK2 (0.37) TDO2PDK2CYP17A1CYP11B1CYP11B2
SCHEMBL16298709 0.91 PDK2 (0.39) PDK2MAPTKDM4EMEN1ALDH1A1
SCHEMBL1103622 0.90 PDK2 (0.36) PDK2MAPTKDM4EMEN1ALDH1A1
SCHEMBL16298676 0.90 PDK2 (0.41) PDK2MAPTKDM4EMEN1ALDH1A1
SCHEMBL1102563 0.90 PDK2 (0.40) PDK2DHODHTDP1

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-8153279-B2 Organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2012-04-10 US disclosed
US-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 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-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same ORMDL3, OCIAD2, OCIAD1 TDO2 1166/4885PDK2 1930/4885MAPT 3162/4885

“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.