SCHEMBL13367456

SCHEMBL13367456

CN(c1ccccc1)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 6/20 0.64
NR3C2 P08235 1/20 0.40
PTPN1 P18031 1/20 0.36
CES1 P23141 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
OPRK1 P41145 1/20 0.34
CHKA P35790 3/20 0.34
HSP90AA1 P07900 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
S1PR4 O95977 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
S1PR1 P21453 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
SCHEMBL279070 0.95 PDK2 (0.59) PDK2NR3C2PTPN1CES1ESR1
SCHEMBL279228 0.94 PDK2 (0.58) PDK2NR3C2PTPN1CES1ESR1
SCHEMBL279367 0.92 PDK2 (0.56) PDK2NR3C2PTPN1CES1ESR1
SCHEMBL14466528 0.92 PDK2 (0.56) PDK2NR3C2PTPN1CES1ESR1
SCHEMBL18627671 0.92 PDK2 (0.56) PDK2NR3C2ESR1ESR2LMNA
SCHEMBL12715077 0.92 PDK2 (0.59) PDK2NR3C2PTPN1CES1ESR1
SCHEMBL14466292 0.92 PDK2 (0.56) PDK2NR3C2PTPN1CES1ESR1
SCHEMBL14465465 0.91 PDK2 (0.56) PDK2NR3C2PTPN1CES1ESR1
SCHEMBL12249585 0.91 PDK2 (0.55) PDK2NR3C2ESR1ESR2LMNA
SCHEMBL13367556 0.90 PDK2 (0.54) PDK2NR3C2CES1ESR1ESR2

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-20160225993-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2016-08-04 US disclosed
US-20100108997-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-05-06 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-20100108997-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OR10J3, OCIAD1, OCIAD2 PDK2 2885/4885NR3C2 828/4885PTPN1 4352/4885

“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.