SCHEMBL21396826

SCHEMBL21396826

Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(-c2ccc(-n3c4ccccc4c4cnccc43)cc2)cc(-n2c3ccc(C)cc3c3cc(C)ccc32)c1C#N

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.38
ACHE P22303 2/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
ELANE P08246 2/20 0.35
MAOA P21397 4/20 0.34
MAOB P27338 4/20 0.34
PDE9A O76083 1/20 0.34
PDE1C Q14123 1/20 0.34
PDE10A Q9Y233 2/20 0.34
AKR1C4 P17516 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
NPY5R Q15761 1/20 0.32

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
SCHEMBL21397098 0.90 PDE9A (0.40) ACHEPDE9APDE1CAKR1C4AKR1C3
SCHEMBL21396894 0.90 CYP11B2 (0.39) CYP11B2ACHEGRIN1GRIN2AELANE
SCHEMBL21397099 0.90 CYP11B2 (0.39) CYP11B2ACHEMAOAMAOBPDE10A
SCHEMBL21377979 0.89 ACHE (0.40) CYP11B2ACHEGRIN1GRIN2AELANE
SCHEMBL21378032 0.89 ACHE (0.40) CYP11B2ACHEGRIN1GRIN2AELANE
SCHEMBL21377994 0.89 ACHE (0.40) CYP11B2ACHEGRIN1GRIN2AELANE
SCHEMBL19909047 0.88 CYP11B2 (0.38) CYP11B2ACHEELANEPDE9APDE1C
SCHEMBL21378005 0.86 PDE9A (0.37) CYP11B2ACHEGRIN1GRIN2AELANE
SCHEMBL21378023 0.86 PDE9A (0.37) CYP11B2ACHEGRIN1GRIN2AELANE
SCHEMBL21377909 0.85 ELANE (0.39) CYP11B2ACHEGRIN1GRIN2AELANE

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 1221/4885ACHE 251/4885GRIN1 1201/4885

“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.