SCHEMBL1103071

SCHEMBL1103071

c1ccc(-c2ccc3cc(-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ncccc56)cc4)ccc3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
ESR1 P03372 8/20 0.42
ESR2 Q92731 7/20 0.42
TOP1 P11387 3/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
BACE1 P56817 1/20 0.38
ALDH1A1 P00352 1/20 0.38
DYRK3 O43781 1/20 0.38
CLK1 P49759 1/20 0.38
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
GSK3B P49841 1/20 0.38
CDK5 Q00535 1/20 0.38
DYRK1A Q13627 1/20 0.38
CDK5R1 Q15078 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
SCHEMBL1102979 0.98 CYP17A1 (0.41) CYP17A1CYP19A1CYP11B1CYP11B2ESR1
SCHEMBL1102993 0.97 CYP17A1 (0.47) CYP17A1CYP19A1CYP11B1CYP11B2ESR1
SCHEMBL1102945 0.97 CYP11B1 (0.42) CYP17A1CYP19A1CYP11B1CYP11B2ESR1
SCHEMBL1103078 0.95 ESR1 (0.42) CYP17A1CYP19A1CYP11B1CYP11B2ESR1
SCHEMBL1103151 0.94 CYP17A1 (0.47) CYP17A1CYP19A1CYP11B1CYP11B2ESR1
SCHEMBL1103129 0.94 CYP17A1 (0.44) CYP17A1CYP19A1CYP11B1CYP11B2ESR1
SCHEMBL1103103 0.94 CYP17A1 (0.44) CYP17A1CYP19A1CYP11B1CYP11B2ESR1
SCHEMBL1102998 0.94 CYP17A1 (0.47) CYP17A1CYP19A1CYP11B1CYP11B2ESR1
SCHEMBL1103035 0.94 CYP17A1 (0.46) CYP17A1CYP19A1CYP11B1CYP11B2ESR1
SCHEMBL1103114 0.92 CYP17A1 (0.45) CYP17A1CYP19A1CYP11B1CYP11B2ESR1

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 CYP17A1 2034/4885CYP19A1 1424/4885CYP11B1 836/4885

“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.