SCHEMBL1102819

SCHEMBL1102819

C[Si]1(C)c2ccccc2N(c2c3ccccc3c(-c3cccc4ccccc34)c3ccncc23)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.40
SLC22A12 Q96S37 2/20 0.35
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
POLB P06746 1/20 0.33
IKBKE Q14164 1/20 0.32
TBK1 Q9UHD2 1/20 0.32
DHFR P00374 1/20 0.32
GSK3B P49841 5/20 0.32
KDR P35968 1/20 0.32
BCHE P06276 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP11B2 P19099 1/20 0.32
MAPK1 P28482 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
SCHEMBL1102739 0.87 MAOA (0.33) TNFPOLBALDH1A1MAPTKDM4E
SCHEMBL1102773 0.84 ALOX5 (0.33) TNFGSK3B
SCHEMBL1102915 0.82 TNF (0.40) TNFSLC22A12CNR1CNR2POLB
SCHEMBL1102855 0.82 TNF (0.40) TNFSLC22A12POLBIKBKETBK1
SCHEMBL1102764 0.82 CYP17A1 (0.36) SLC22A12CYP11B2
SCHEMBL1102910 0.82 TNF (0.37) TNFSLC22A12CNR1CNR2POLB
SCHEMBL1103239 0.82 GAA (0.34) POLBDHFRGSK3BALDH1A1MAPT
SCHEMBL1102713 0.81 TNF (0.39) TNFSLC22A12CNR1CNR2POLB
SCHEMBL1103602 0.79 PDE10A (0.33) POLBDHFRBCHEKDM4E
SCHEMBL1103691 0.75 TNF (0.56) TNFSLC22A12IKBKETBK1DHFR

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 3803/4885SLC22A12 1907/4885CNR1 1300/4885

“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.