SCHEMBL1102772

SCHEMBL1102772

CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccncc34)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 3/20 0.40
PDK2 Q15119 2/20 0.35
BACE1 P56817 1/20 0.35
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTR2C P28335 3/20 0.34
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ENPP3 O14638 1/20 0.33
ENPP1 P22413 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL1102962 0.97 TNF (0.40) TNFPDK2BACE1MAPK11MAPK14
SCHEMBL1102896 0.96 TNF (0.39) TNFPDK2BACE1MAPK11MAPK14
SCHEMBL1103666 0.95 TNF (0.39) TNFPDK2BACE1MAPK11MAPK14
SCHEMBL1102965 0.94 TNF (0.39) TNFPDK2BACE1MAPK11MAPK14
SCHEMBL1102682 0.94 PDK2 (0.38) TNFPDK2DHODH
SCHEMBL1103626 0.93 TNF (0.39) TNFPDK2BACE1MAPK11MAPK14
SCHEMBL1102837 0.93 TNF (0.40) TNFBACE1MAPK11MAPK14KDM4E
SCHEMBL1102787 0.93 TNF (0.45) TNFPDK2BACE1MAPK11MAPK14
SCHEMBL1103654 0.93 KDR (0.35) TNFPDK2BACE1MAPK11MAPK14
SCHEMBL1103665 0.93 TNF (0.40) TNFPDK2BACE1MAPK11MAPK14

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 1930/4885BACE1 1597/4885

“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.