SCHEMBL21396838

SCHEMBL21396838

CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1c(C#N)c(-n2c3ccccc3c3cc(C(C)(C)C)ccc32)c(-n2c3ccccc3c3cc(C(C)(C)C)ccc32)c(-c2ccccc2-n2c3ccccc3c3cnccc32)c1-n1c2ccccc2c2cc(C(C)(C)C)ccc21

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.33
MAOA P21397 4/20 0.32
MAOB P27338 4/20 0.32
ACHE P22303 1/20 0.32
CYP2D6 P10635 1/20 0.31
CNR2 P34972 1/20 0.31
PDE10A Q9Y233 1/20 0.30
KDR P35968 1/20 0.30
NCOA3 Q9Y6Q9 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
SCHEMBL21396900 1.00 CYP11B2 (0.33) CYP11B2MAOAMAOBACHECYP2D6
SCHEMBL21377919 1.00 CYP11B2 (0.33) CYP11B2MAOAMAOBACHECYP2D6
SCHEMBL21378008 0.94 CYP11B2 (0.33) CYP11B2CNR2KDR
SCHEMBL21378044 0.91 RORC (0.33)
SCHEMBL21396911 0.90
SCHEMBL22036571 0.87 CYP11B2 (0.35) CYP11B2MAOAMAOBACHECYP2D6
SCHEMBL21396836 0.87 AKT1 (0.31)
SCHEMBL21378045 0.86 CYP11B2 (0.36) CYP11B2MAOAMAOBACHEPDE10A
SCHEMBL21378018 0.86 CYP11B2 (0.36) CYP11B2MAOAMAOBACHEPDE10A
SCHEMBL21396891 0.86 CYP11B2 (0.36) CYP11B2MAOAMAOBACHEPDE10A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190292181-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES Kyulux North America, Inc. 2019-09-26 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-20190292181-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, SLCO1B3, NDUFV3 CYP11B2 1221/4885MAOA 123/4885MAOB 95/4885

“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.