SCHEMBL1103679

SCHEMBL1103679

CC1(C)c2ccccc2-c2ccc(-c3c4cc(-c5ccc(-c6ccccc6)cc5)ccc4c(-c4cccc5ccccc45)c4cnccc34)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.40
PDK2 Q15119 3/20 0.35
MAPK10 P53779 1/20 0.34
SCN9A Q15858 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
NTSR1 P30989 1/20 0.32
BACE1 P56817 1/20 0.32
CA12 O43570 3/20 0.31
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
CA9 Q16790 3/20 0.31
DHODH Q02127 2/20 0.31
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 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
SCHEMBL1103665 1.00 TNF (0.40) TNFPDK2MAPK10SCN9AKDM4E
SCHEMBL1103626 0.95 TNF (0.39) TNFPDK2KDM4EALDH1A1MAPT
SCHEMBL1103666 0.94 TNF (0.39) TNFPDK2KDM4EALDH1A1MAPT
SCHEMBL1102962 0.94 TNF (0.40) TNFPDK2KDM4EALDH1A1MAPT
SCHEMBL1103689 0.93 CYP11B1 (0.35) TNFPDK2MAPK10SLC22A12BACE1
SCHEMBL1103673 0.93 CYP11B1 (0.35) TNFPDK2MAPK10SLC22A12BACE1
SCHEMBL1102896 0.93 TNF (0.39) TNFPDK2KDM4EALDH1A1MAPT
SCHEMBL1102772 0.93 TNF (0.40) TNFPDK2KDM4EALDH1A1MAPT
SCHEMBL1103639 0.92 TNF (0.40) TNFPDK2KDM4EALDH1A1MAPT
SCHEMBL1103678 0.92 PDK2 (0.39) TNFPDK2MAPK10DGAT2

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 TNF 3803/4885PDK2 1930/4885MAPK10 1869/4885

“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.