SCHEMBL1102805

SCHEMBL1102805

CC(C)(C)c1ccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccncc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.49
TNF P01375 3/20 0.44
KIF11 P52732 2/20 0.42
SLC22A12 Q96S37 2/20 0.41
TRPV1 Q8NER1 7/20 0.40
CCR4 P51679 1/20 0.39
KDM4E B2RXH2 3/20 0.37
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
RAB9A P51151 2/20 0.37
GPR84 Q9NQS5 1/20 0.37
MAPK1 P28482 1/20 0.36

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
SCHEMBL1102908 0.88 TNF (0.53) KDRTNFSLC22A12KDM4EMAPT
SCHEMBL1102574 0.88 KIF11 (0.53) KDRKIF11TRPV1KDM4EMAPT
SCHEMBL1103618 0.87 KDR (0.49) KDRTNFKIF11SLC22A12TRPV1
SCHEMBL1103656 0.86 KDR (0.43) KDRTNFKIF11SLC22A12TRPV1
SCHEMBL1102681 0.86 TNF (0.59) TNFSLC22A12KDM4EMAPTSMN1; SMN2
SCHEMBL1102618 0.86 TNF (0.59) TNFSLC22A12KDM4EMAPTSMN1; SMN2
SCHEMBL1102779 0.86 TNF (0.59) TNFSLC22A12KDM4EMAPTSMN1; SMN2
SCHEMBL1102976 0.85 TNF (0.48) KDRTNFSLC22A12KDM4EMAPT
SCHEMBL1102687 0.85 TNF (0.58) TNFSLC22A12KDM4EMAPTSMN1; SMN2
SCHEMBL1102666 0.85 TNF (0.58) TNFSLC22A12KDM4EMAPTSMN1; SMN2

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 KDR 1059/4885TNF 3803/4885KIF11 2859/4885

“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.