SCHEMBL1102945

SCHEMBL1102945

c1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5ccc6cc(-c7ccccc7)ccc6c5)c5ncccc45)ccc3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
CYP17A1 P05093 1/20 0.42
CYP19A1 P11511 1/20 0.42
ESR1 P03372 6/20 0.42
ESR2 Q92731 6/20 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) CYP11B1CYP11B2CYP17A1CYP19A1ESR1
SCHEMBL1103151 0.97 CYP17A1 (0.47) CYP11B1CYP11B2CYP17A1CYP19A1ESR1
SCHEMBL1103071 0.97 CYP17A1 (0.42) CYP11B1CYP11B2CYP17A1CYP19A1ESR1
SCHEMBL1103078 0.95 ESR1 (0.42) CYP11B1CYP11B2CYP17A1CYP19A1ESR1
SCHEMBL1103138 0.94 CYP11B1 (0.45) CYP11B1CYP11B2CYP17A1CYP19A1ESR1
SCHEMBL1103134 0.94 CYP11B1 (0.45) CYP11B1CYP11B2CYP17A1CYP19A1ESR1
SCHEMBL1103129 0.94 CYP17A1 (0.44) CYP11B1CYP11B2CYP17A1CYP19A1ESR1
SCHEMBL1102998 0.94 CYP17A1 (0.47) CYP11B1CYP11B2CYP17A1CYP19A1ESR1
SCHEMBL1103103 0.94 CYP17A1 (0.44) CYP11B1CYP11B2CYP17A1CYP19A1ESR1
SCHEMBL1102993 0.94 CYP17A1 (0.47) CYP11B1CYP11B2CYP17A1CYP19A1ESR1

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 CYP11B1 836/4885CYP11B2 652/4885CYP17A1 2034/4885

“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.