SCHEMBL1102774

SCHEMBL1102774

c1ccc(-c2c3ccccc3c(-c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccncc45)cc3)c3cnccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.54
CYP11B2 P19099 3/20 0.54
CYP17A1 P05093 1/20 0.54
CYP19A1 P11511 1/20 0.54
ESR1 P03372 2/20 0.45
ESR2 Q92731 2/20 0.45
TNF P01375 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CCNC P24863 2/20 0.43
CDK8 P49336 2/20 0.43
TDO2 P48775 2/20 0.43
MAPK10 P53779 5/20 0.42
MAPK9 P45984 4/20 0.42
MAPK8 P45983 2/20 0.42
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
SLC22A12 Q96S37 1/20 0.40
ALOX5 P09917 1/20 0.40

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
SCHEMBL1102788 1.00 CYP11B1 (0.54) CYP11B1CYP11B2CYP17A1CYP19A1ESR1
SCHEMBL1102704 1.00 CYP11B1 (0.54) CYP11B1CYP11B2CYP17A1CYP19A1ESR1
SCHEMBL1102810 1.00 CYP11B1 (0.54) CYP11B1CYP11B2CYP17A1CYP19A1ESR1
SCHEMBL1102671 1.00 CYP11B1 (0.54) CYP11B1CYP11B2CYP17A1CYP19A1ESR1
SCHEMBL1102926 1.00 CYP11B1 (0.54) CYP11B1CYP11B2CYP17A1CYP19A1ESR1
SCHEMBL1102912 0.98 CYP11B1 (0.53) CYP11B1CYP11B2CYP17A1CYP19A1ESR1
SCHEMBL1102700 0.98 CYP11B1 (0.53) CYP11B1CYP11B2CYP17A1CYP19A1ESR1
SCHEMBL1102815 0.98 CYP11B2 (0.57) CYP11B1CYP11B2CYP17A1CYP19A1ESR1
SCHEMBL1102689 0.97 CYP17A1 (0.51) CYP11B1CYP11B2CYP17A1CYP19A1ESR1
SCHEMBL1102694 0.97 CYP17A1 (0.51) 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.