SCHEMBL1103655

SCHEMBL1103655

CC(C)(C)c1ccc2c(-c3ccc4ccccc4c3)c3cnccc3c(-c3ccccc3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.43
CYP11B2 P19099 2/20 0.43
CYP19A1 P11511 1/20 0.43
CYP11B1 P15538 1/20 0.43
SLC22A12 Q96S37 1/20 0.41
KIF11 P52732 3/20 0.40
TNF P01375 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CCNC P24863 2/20 0.36
CDK8 P49336 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
CSNK2A2 P19784 1/20 0.35
CSNK2A1 P68400 1/20 0.35
KDR P35968 1/20 0.35

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
SCHEMBL1103657 0.99 KIF11 (0.42) CYP17A1CYP11B2CYP19A1CYP11B1SLC22A12
SCHEMBL1103617 0.96 CYP17A1 (0.42) CYP17A1CYP11B2CYP19A1CYP11B1SLC22A12
SCHEMBL1102746 0.90 KIF11 (0.43) CYP17A1CYP11B2CYP19A1CYP11B1SLC22A12
SCHEMBL1103627 0.90 KIF11 (0.49) CYP19A1KIF11TNFCSNK2A2MAPK10
SCHEMBL1103616 0.90 KIF11 (0.44) CYP19A1KIF11TNFCSNK2A2KDR
SCHEMBL1103656 0.88 KDR (0.43) CYP17A1CYP11B2CYP19A1CYP11B1SLC22A12
SCHEMBL12887037 0.88 SLC22A12 (0.38) CYP17A1CYP11B2CYP19A1CYP11B1SLC22A12
SCHEMBL1103672 0.86 CYP11B2 (0.54) CYP17A1CYP11B2CYP19A1CYP11B1TNF
SCHEMBL1103647 0.86 CYP11B1 (0.50) CYP17A1CYP11B2CYP19A1CYP11B1SLC22A12
SCHEMBL1103675 0.85 CYP11B2 (0.53) 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 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 2034/4885CYP11B2 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.