SCHEMBL1104949

SCHEMBL1104949

Cc1ccc2c(c1)C(C)(C)c1cc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccncc34)ccc1-2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.38
KDR P35968 3/20 0.37
FLT3 P36888 1/20 0.34
ENPP3 O14638 1/20 0.34
ENPP1 P22413 1/20 0.34
MAPT P10636 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
BACE1 P56817 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK14 Q16539 2/20 0.33
DHODH Q02127 1/20 0.33
MAPK11 Q15759 1/20 0.33
DHFR P00374 1/20 0.33
PSD A5PKW4 1/20 0.32
CSNK1D P48730 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
SCHEMBL1103654 0.94 KDR (0.35) TNFKDRFLT3ENPP3ENPP1
SCHEMBL1102772 0.92 TNF (0.40) TNFKDRENPP3ENPP1MAPT
SCHEMBL1102787 0.90 TNF (0.45) TNFKDRENPP3ENPP1MAPT
SCHEMBL1102962 0.89 TNF (0.40) TNFKDRENPP3ENPP1MAPT
SCHEMBL10072718 0.89 CYP17A1 (0.37) MAPTNPSR1KDM4EALDH1A1MEN1
SCHEMBL1102896 0.88 TNF (0.39) TNFKDRENPP3ENPP1MAPT
SCHEMBL1104948 0.88 LMNA (0.39) TNFMAPTNPSR1KDM4EALDH1A1
SCHEMBL1103666 0.88 TNF (0.39) TNFENPP3ENPP1MAPTKDM4E
SCHEMBL16298678 0.87 LMNA (0.37) TNFMAPTNPSR1KDM4EALDH1A1
SCHEMBL1102965 0.87 TNF (0.39) TNFKDRENPP3ENPP1MAPT

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 TNF 3803/4885KDR 1059/4885FLT3 4063/4885

“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.