SCHEMBL1102909

SCHEMBL1102909

CC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(-c2c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4cc6c(cc4-5)C(C)(C)c4ccccc4-6)c4ncccc24)cc1C3(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 7/20 0.36
COMT P21964 1/20 0.34
CCR1 P32246 2/20 0.33
CCR8 P51685 2/20 0.33
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
NPC1 O15118 1/20 0.31
HSP90AA1 P07900 1/20 0.31
GLO1 Q04760 2/20 0.31
CKS1B P61024 1/20 0.31
SKP2 Q13309 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
TOP1 P11387 1/20 0.31
DHODH Q02127 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
SCHEMBL1102729 0.97 PDK2 (0.38) PDK2COMTCCR1CCR8KDM4E
SCHEMBL1103073 0.96 PDK2 (0.37) PDK2COMTCCR1CCR8KDM4E
SCHEMBL1103126 0.96 PDK2 (0.37) PDK2COMTCCR1CCR8KDM4E
SCHEMBL1103021 0.96 PDK2 (0.38) PDK2COMTCCR1CCR8KDM4E
SCHEMBL1103096 0.95 PDK2 (0.36) PDK2COMTCCR1CCR8KDM4E
SCHEMBL1102958 0.94 PDK2 (0.36) PDK2COMTCCR1CCR8GLO1
SCHEMBL1103077 0.94 PDK2 (0.36) PDK2COMTCCR1CCR8GLO1
SCHEMBL1103080 0.94 PDK2 (0.37) PDK2COMTCCR1CCR8KDM4E
SCHEMBL1103058 0.93 PDK2 (0.36) PDK2COMTCCR1CCR8GLO1
SCHEMBL1102928 0.93 PDK2 (0.36) PDK2COMTCCR1CCR8GLO1

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 5 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-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
US-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 US disclosed
EP-2147962-A1 Azaanthracene-derivatives and organic electroluminescent device using the same Gracel Display Inc. (KR) 2010-01-27 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-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same ORMDL3, OCIAD2, OCIAD1 PDK2 1930/4885COMT 435/4885CCR1 1341/4885

“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.