SCHEMBL1103210

SCHEMBL1103210

c1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ncccc45)ccc3c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ESR1 P03372 3/20 0.38
ESR2 Q92731 2/20 0.38
MAPT P10636 4/20 0.38
KDM4E B2RXH2 3/20 0.38
CCR1 P32246 3/20 0.38
CCR8 P51685 3/20 0.38
TP53 P04637 2/20 0.38
TSHR P16473 2/20 0.38
NFKB1 P19838 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP3A4 P08684 2/20 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
SCHEMBL1103196 0.95 CYP17A1 (0.42) CYP17A1CYP19A1CYP11B1CYP11B2CA12
SCHEMBL1103076 0.95 ESR1 (0.40) CYP17A1CYP19A1CYP11B1CYP11B2ESR1
SCHEMBL1103209 0.95 CYP17A1 (0.41) CYP17A1CYP19A1CYP11B1CYP11B2MAPT
SCHEMBL1103199 0.95 CA12 (0.40) CA12CA1CA2CA9ESR1
SCHEMBL1103089 0.95 CCR1 (0.42) CYP17A1CYP19A1CYP11B1CYP11B2MAPT
SCHEMBL1103211 0.94 PIM1 (0.40) CYP17A1CYP19A1CYP11B1CYP11B2CA12
SCHEMBL1103189 0.93 TOP1 (0.39) CA12CA1CA2CA9ESR1
SCHEMBL1103204 0.92 CCR1 (0.40) CYP11B1CYP11B2CA12CA9MAPT
SCHEMBL1103184 0.91 KDM4E (0.40) CA12CA1CA2CA9ESR1
SCHEMBL1102982 0.90 ESR1 (0.40) 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 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 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.