SCHEMBL1102624

SCHEMBL1102624

CC1(C)c2ccccc2-c2cccc(-c3c4ccccc4c(-c4ccccc4)c4ccncc34)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.41
CYP17A1 P05093 2/20 0.36
CYP1A2 P05177 2/20 0.36
CCNC P24863 2/20 0.35
CDK8 P49336 2/20 0.35
HASPIN Q8TF76 1/20 0.35
CDK19 Q9BWU1 1/20 0.35
PDK2 Q15119 2/20 0.34
MAP2 P11137 1/20 0.34
ALOX5 P09917 1/20 0.33
TDP1 Q9NUW8 4/20 0.31
TDP2 O95551 2/20 0.31
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
DGAT2 Q96PD7 1/20 0.31
HTR6 P50406 1/20 0.30
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL1102573 0.87 TNF (0.41) TNFCYP17A1CYP1A2CCNCCDK8
SCHEMBL1102853 0.87 TNF (0.41) TNFCYP1A2MAPT
SCHEMBL1102759 0.86 CYP11B1 (0.37) TNFCYP17A1CYP1A2CCNCCDK8
SCHEMBL1102795 0.84 TNF (0.39) TNFCYP17A1CYP1A2CCNCCDK8
SCHEMBL1102684 0.84 PDK2 (0.39) TNFCYP17A1CYP1A2CCNCCDK8
SCHEMBL1102604 0.84 TNF (0.38) TNFCYP17A1CYP1A2CCNCCDK8
SCHEMBL1102613 0.84 PDK2 (0.40) TNFCYP17A1CYP1A2CCNCCDK8
SCHEMBL1102790 0.84 PDK2 (0.40) TNFCYP17A1CYP1A2CCNCCDK8
SCHEMBL1102586 0.83 PDK2 (0.38) TNFCYP17A1CYP1A2CCNCCDK8
SCHEMBL1102587 0.83 PDK2 (0.40) TNFCYP17A1CYP1A2CCNCCDK8

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 3803/4885CYP17A1 2034/4885CYP1A2 1437/4885

“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.