SCHEMBL21377974

SCHEMBL21377974

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1c(C#N)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c(-c2ccc(-n3c4cnccc4c4ccncc43)cc2)c1-n1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 1/20 0.32
KDM1A O60341 1/20 0.32
USP14 P54578 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PTGES O14684 1/20 0.31
GRIA2 P42262 1/20 0.30
GRIA4 P48058 1/20 0.30
KIF11 P52732 1/20 0.30
KCNH2 Q12809 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
SCHEMBL21378029 0.88 KDM4E (0.39) PDE9AUSP14KDM4EMEN1ALDH1A1
SCHEMBL21396872 0.88 CYP11B2 (0.37) KDM4EMAPTNPSR1KIF11
SCHEMBL21378079 0.88 CYP11B2 (0.37) KDM4EMAPTNPSR1KIF11
SCHEMBL23629599 0.86 KIF11 (0.40) KDM1AKDM4EALDH1A1GAAHPGD
SCHEMBL21396902 0.84 PDE9A (0.37) PDE9AUSP14KDM4EMEN1ALDH1A1
SCHEMBL21396606 0.84 PDE9A (0.37) PDE9AUSP14KDM4EMEN1ALDH1A1
SCHEMBL21378011 0.84 CYP11B2 (0.40) PDE9AUSP14KDM4EMEN1ALDH1A1
SCHEMBL31273257 0.84 KIF11 (0.38) KDM1AKDM4EALDH1A1GAAHPGD
SCHEMBL23629576 0.83 KIF11 (0.41) KDM1AKDM4EALDH1A1MAPTNPSR1
SCHEMBL21396871 0.83 CYP11B2 (0.37) PDE9AKDM4EMEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11608333-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2023-03-21 US disclosed
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 (2 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 PDE9A 4069/4885KDM1A 4645/4885USP14 4175/4885
US-11608333-B2 Composition of matter for use in organic light-emitting diodes CRY2, SLCO1B3, NDUFV3 PDE9A 4069/4885KDM1A 4645/4885USP14 4175/4885

“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.