SCHEMBL1102746

SCHEMBL1102746

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.43
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
CYP17A1 P05093 1/20 0.43
CYP19A1 P11511 1/20 0.43
SLC22A12 Q96S37 1/20 0.41
KDR P35968 1/20 0.40
TRPV1 Q8NER1 4/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
TDO2 P48775 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 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
SCHEMBL1103617 0.91 CYP17A1 (0.42) KIF11CYP11B1CYP11B2CYP17A1CYP19A1
SCHEMBL1103655 0.90 CYP17A1 (0.43) KIF11CYP11B1CYP11B2CYP17A1CYP19A1
SCHEMBL12886790 0.90 CYP11B2 (0.37) KIF11CYP11B1CYP11B2CYP17A1CYP19A1
SCHEMBL1103657 0.89 KIF11 (0.42) KIF11CYP11B1CYP11B2CYP17A1CYP19A1
SCHEMBL1102574 0.89 KIF11 (0.53) KIF11KDRTRPV1KDM4EMEN1
SCHEMBL1102895 0.89 CYP11B1 (0.53) CYP11B1CYP11B2CYP17A1CYP19A1TDO2
SCHEMBL12887120 0.89 SLC22A12 (0.38) KIF11CYP11B1CYP11B2CYP17A1CYP19A1
SCHEMBL1102685 0.87 CYP11B1 (0.51) CYP11B1CYP11B2CYP17A1CYP19A1TDO2
SCHEMBL1102481 0.87 CYP11B1 (0.54) CYP11B1CYP11B2CYP17A1CYP19A1TDO2
SCHEMBL1102635 0.87 CYP11B1 (0.54) CYP11B1CYP11B2CYP17A1CYP19A1TDO2

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 KIF11 2859/4885CYP11B1 836/4885CYP11B2 652/4885

“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.