SCHEMBL1102468

SCHEMBL1102468

CC(C)c1cccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccncc23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.46
CYP11B2 P19099 2/20 0.46
CYP19A1 P11511 1/20 0.46
CYP11B1 P15538 1/20 0.46
ATP1A1 P05023 1/20 0.39
ATP1B1 P05026 1/20 0.39
ATP1A3 P13637 1/20 0.39
ATP1B2 P14415 1/20 0.39
ATP1A2 P50993 1/20 0.39
ATP1B3 P54709 1/20 0.39
FXYD2 P54710 1/20 0.39
ATP1A4 Q13733 1/20 0.39
TNF P01375 1/20 0.38
MAPK9 P45984 4/20 0.38
MAPK10 P53779 4/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
IDO1 P14902 1/20 0.37
KDR P35968 1/20 0.37
TDO2 P48775 2/20 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
SCHEMBL1102540 0.92 CYP17A1 (0.44) CYP17A1CYP11B2CYP19A1CYP11B1ATP1A1
SCHEMBL1102455 0.90 CYP17A1 (0.42) CYP17A1CYP11B2CYP19A1CYP11B1ATP1A1
SCHEMBL1102457 0.90 CYP17A1 (0.44) CYP17A1CYP11B2CYP19A1CYP11B1ATP1A1
SCHEMBL1102470 0.89 IDO1 (0.40) TNFMAPK10IDO1KDRRXRA
SCHEMBL1102477 0.88 CYP17A1 (0.43) CYP17A1CYP11B2CYP19A1CYP11B1ATP1A1
SCHEMBL1102537 0.88 TNF (0.46) CYP11B2CYP11B1TNFNPC1RAB9A
SCHEMBL1102510 0.87 KDR (0.43) CYP17A1CYP11B2CYP19A1CYP11B1TNF
SCHEMBL1102832 0.86 CYP11B2 (0.57) CYP17A1CYP11B2CYP19A1CYP11B1TNF
SCHEMBL1102638 0.86 CYP11B2 (0.57) CYP17A1CYP11B2CYP19A1CYP11B1TNF
SCHEMBL1102481 0.86 CYP11B1 (0.54) CYP17A1CYP11B2CYP19A1CYP11B1TNF

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 2034/4885CYP11B2 652/4885CYP19A1 1424/4885

“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.