SCHEMBL1103112

SCHEMBL1103112

c1ccc(-c2c3ccccc3c(-c3cccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ncccc45)c3)c3cccnc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.44
ESR2 Q92731 4/20 0.44
CYP17A1 P05093 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
SIRT2 Q8IXJ6 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
KDM4E B2RXH2 2/20 0.38
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
GMNN O75496 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MMP2 P08253 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 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
SCHEMBL1103118 1.00 ESR1 (0.44) ESR1ESR2CYP17A1CYP19A1CYP11B1
SCHEMBL1103039 0.99 CYP17A1 (0.45) ESR1ESR2CYP17A1CYP19A1CYP11B1
SCHEMBL1103083 0.97 CYP17A1 (0.45) ESR1ESR2CYP17A1CYP19A1CYP11B1
SCHEMBL1102959 0.97 CYP17A1 (0.45) ESR1ESR2CYP17A1CYP19A1CYP11B1
SCHEMBL1103114 0.97 CYP17A1 (0.45) ESR1ESR2CYP17A1CYP19A1CYP11B1
SCHEMBL1103116 0.97 CYP17A1 (0.45) ESR1ESR2CYP17A1CYP19A1CYP11B1
SCHEMBL1103121 0.97 CYP17A1 (0.45) ESR1ESR2CYP17A1CYP19A1CYP11B1
SCHEMBL1103094 0.97 CYP17A1 (0.45) ESR1ESR2CYP17A1CYP19A1CYP11B1
SCHEMBL1103138 0.96 CYP11B1 (0.45) ESR1ESR2CYP17A1CYP19A1CYP11B1
SCHEMBL1103134 0.96 CYP11B1 (0.45) ESR1ESR2CYP17A1CYP19A1CYP11B1

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 ESR1 1038/4885ESR2 576/4885CYP17A1 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.