SCHEMBL1102732

SCHEMBL1102732

Cc1cccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccncc23)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.50
CYP17A1 P05093 2/20 0.48
CYP11B2 P19099 2/20 0.48
CYP19A1 P11511 1/20 0.48
CYP11B1 P15538 1/20 0.48
TNF P01375 1/20 0.40
CSNK1D P48730 1/20 0.40
CSNK1E P49674 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KDR P35968 1/20 0.39
IKBKB O14920 1/20 0.39
TDO2 P48775 2/20 0.39
HTR2B P41595 1/20 0.39
HTR5A P47898 1/20 0.39
CYP2A6 P11509 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GRM1 Q13255 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
RPS6KA3 P51812 1/20 0.38

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
SCHEMBL1105441 0.92 CYP2A6 (0.49) MAPK14CYP17A1CYP11B2CYP19A1CYP11B1
SCHEMBL1102935 0.90 CYP11B1 (0.45) MAPK14CYP17A1CYP11B2CYP19A1CYP11B1
SCHEMBL1102523 0.90 RPS6KA3 (0.43) MAPK14TNFNPC1RAB9AKDR
SCHEMBL1102769 0.89 CYP11B1 (0.46) MAPK14CYP17A1CYP11B2CYP19A1CYP11B1
SCHEMBL1102638 0.89 CYP11B2 (0.57) CYP17A1CYP11B2CYP19A1CYP11B1TNF
SCHEMBL1102832 0.89 CYP11B2 (0.57) CYP17A1CYP11B2CYP19A1CYP11B1TNF
SCHEMBL1102635 0.89 CYP11B1 (0.54) CYP17A1CYP11B2CYP19A1CYP11B1TNF
SCHEMBL1102481 0.89 CYP11B1 (0.54) CYP17A1CYP11B2CYP19A1CYP11B1TNF
SCHEMBL1103615 0.88 CYP17A1 (0.45) MAPK14CYP17A1CYP11B2CYP19A1CYP11B1
SCHEMBL16298710 0.88 CYP11B1 (0.42) MAPK14CYP17A1CYP11B2CYP19A1CYP11B1

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 MAPK14 3348/4885CYP17A1 2034/4885CYP11B2 652/4885

“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.