SCHEMBL21396872

SCHEMBL21396872

CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1c(C#N)c(-n2c3ccccc3c3cc(C(C)(C)C)ccc32)c(-n2c3ccccc3c3cc(C(C)(C)C)ccc32)c(-c2cccc(-n3c4cnccc4c4ccncc43)c2)c1-n1c2ccccc2c2cc(C(C)(C)C)ccc21

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.37
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
KIF11 P52732 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP11B1 P15538 1/20 0.31
MAOA P21397 1/20 0.31
NPY5R Q15761 1/20 0.30
ROCK2 O75116 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
SCHEMBL21378079 1.00 CYP11B2 (0.37) CYP11B2GABRA1GABRG2GABRB3GABRA5
SCHEMBL21378036 0.94 CYP11B2 (0.37) CYP11B2GABRA1GABRG2GABRB3GABRA5
SCHEMBL21378015 0.91 GABRA1 (0.34) CYP11B2GABRA1GABRG2GABRB3GABRA5
SCHEMBL21378007 0.89 CYP11B2 (0.38) CYP11B2KDM4EMAPTCYP11B1MAOA
SCHEMBL21377952 0.88 CYP11B2 (0.38) CYP11B2GABRA1GABRG2GABRB3GABRA5
SCHEMBL21378021 0.88 CYP11B2 (0.38) CYP11B2GABRA1GABRG2GABRB3GABRA5
SCHEMBL21377974 0.88 PDE9A (0.32) KIF11KDM4EMAPTNPSR1
SCHEMBL21378085 0.85 ELANE (0.37) CYP11B2KDM4ECYP11B1MAOAROCK2
SCHEMBL21378077 0.85 CYP11B2 (0.40) CYP11B2KDM4EMAPTCYP11B1MAOA
SCHEMBL21397114 0.85 GABRA1 (0.34) CYP11B2GABRA1GABRG2GABRB3GABRA5

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 1221/4885GABRA1 3823/4885GABRG2 3351/4885

“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.