SCHEMBL1102833

SCHEMBL1102833

CC1(C)c2ccccc2-c2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccncc34)cccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.41
SLC22A12 Q96S37 1/20 0.36
DHFR P00374 1/20 0.35
IKBKE Q14164 1/20 0.35
TBK1 Q9UHD2 1/20 0.35
KDM4E B2RXH2 3/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PDK2 Q15119 1/20 0.34
KDR P35968 5/20 0.34
MAPK1 P28482 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
HTT P42858 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
SCHEMBL1102636 0.93 PDK2 (0.38) TNFKDM4EMAPTALDH1A1HPGD
SCHEMBL1102573 0.87 TNF (0.41) TNFPDK2
SCHEMBL1102853 0.87 TNF (0.41) TNFSLC22A12DHFRIKBKETBK1
SCHEMBL12886869 0.86 TNF (0.35) TNFSLC22A12DHFRIKBKETBK1
SCHEMBL12887240 0.86 SLC22A12 (0.36) TNFSLC22A12DHFRIKBKETBK1
SCHEMBL1102748 0.86 CYP11B1 (0.37) TNFSLC22A12PDK2CYP11B2
SCHEMBL1102772 0.84 TNF (0.40) TNFSLC22A12DHFRIKBKETBK1
SCHEMBL1102837 0.84 TNF (0.40) TNFSLC22A12DHFRIKBKETBK1
SCHEMBL1102965 0.83 TNF (0.39) TNFSLC22A12KDM4EMAPTALDH1A1
SCHEMBL1103691 0.83 TNF (0.56) TNFSLC22A12DHFRIKBKETBK1

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 4 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

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 1907/4885DHFR 3167/4885

“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.