SCHEMBL1102457

SCHEMBL1102457

CC(C)c1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccncc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
KDR P35968 1/20 0.41
MAPK9 P45984 4/20 0.39
MAPK10 P53779 4/20 0.39
TDO2 P48775 2/20 0.39
DHODH Q02127 1/20 0.38
MAPK8 P45983 2/20 0.38
ATP1A1 P05023 1/20 0.38
ATP1B1 P05026 1/20 0.38
ATP1A3 P13637 1/20 0.38
ATP1B2 P14415 1/20 0.38
ATP1A2 P50993 1/20 0.38
ATP1B3 P54709 1/20 0.38
FXYD2 P54710 1/20 0.38
ATP1A4 Q13733 1/20 0.38
CYP3A4 P08684 3/20 0.37
CYP2D6 P10635 3/20 0.37

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
SCHEMBL1102477 0.99 CYP17A1 (0.43) CYP17A1CYP19A1CYP11B1CYP11B2KDR
SCHEMBL1102540 0.95 CYP17A1 (0.44) CYP17A1CYP19A1CYP11B1CYP11B2KDR
SCHEMBL1102455 0.92 CYP17A1 (0.42) CYP17A1CYP19A1CYP11B1CYP11B2MAPK9
SCHEMBL1102895 0.90 CYP11B1 (0.53) CYP17A1CYP19A1CYP11B1CYP11B2MAPK9
SCHEMBL1102468 0.90 CYP17A1 (0.46) CYP17A1CYP19A1CYP11B1CYP11B2KDR
SCHEMBL1102685 0.89 CYP11B1 (0.51) CYP17A1CYP19A1CYP11B1CYP11B2MAPK9
SCHEMBL1102481 0.89 CYP11B1 (0.54) CYP17A1CYP19A1CYP11B1CYP11B2MAPK9
SCHEMBL1102635 0.89 CYP11B1 (0.54) CYP17A1CYP19A1CYP11B1CYP11B2MAPK9
SCHEMBL1102788 0.87 CYP11B1 (0.54) CYP17A1CYP19A1CYP11B1CYP11B2MAPK9
SCHEMBL1102710 0.87 CYP11B1 (0.54) CYP17A1CYP19A1CYP11B1CYP11B2MAPK9

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 2 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-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.