SCHEMBL1103658

SCHEMBL1103658

CC(C)(C)c1ccc2c(-c3ccc4ccccc4c3)c3cnccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.35
KDR P35968 1/20 0.34
PDK2 Q15119 2/20 0.33
CYP17A1 P05093 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
MAPK9 P45984 2/20 0.31
MAPK10 P53779 2/20 0.31
MAPK8 P45983 1/20 0.31
CCNC P24863 8/20 0.31
CDK8 P49336 8/20 0.31
KIF11 P52732 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
KCNH2 Q12809 1/20 0.30
EPHX2 P34913 1/20 0.30

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
SCHEMBL1103630 0.94 PDK2 (0.36) KDRPDK2KIF11
SCHEMBL1103659 0.91 KDR (0.39) SLC22A12KDRPDK2EPHX2TNF
SCHEMBL1103643 0.90 CYP17A1 (0.39) SLC22A12PDK2CYP17A1CYP19A1CYP11B1
SCHEMBL1103676 0.90 CYP17A1 (0.39) SLC22A12PDK2CYP17A1CYP19A1CYP11B1
SCHEMBL1103634 0.90 CYP17A1 (0.39) SLC22A12PDK2CYP17A1CYP19A1CYP11B1
SCHEMBL1102725 0.89 CYP11B1 (0.39) SLC22A12PDK2CYP17A1CYP19A1CYP11B1
SCHEMBL1103682 0.87 CYP11B2 (0.40) SLC22A12PDK2CYP17A1CYP19A1CYP11B1
SCHEMBL1103653 0.87 GSK3B (0.36) SLC22A12PDK2CYP17A1CYP19A1CYP11B1
SCHEMBL1103688 0.87 CYP17A1 (0.40) SLC22A12PDK2CYP17A1CYP19A1CYP11B1
SCHEMBL1103669 0.87 CYP11B2 (0.40) SLC22A12PDK2CYP17A1CYP19A1CYP11B1

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 SLC22A12 1907/4885KDR 1059/4885PDK2 1930/4885

“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.