SCHEMBL21378085

SCHEMBL21378085

Cc1ccc2c(c1)c1cc(C)ccc1n2-c1c(C#N)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-c2cccc(-n3c4cnccc4c4ccncc43)c2)c1-n1c2ccc(C)cc2c2cc(C)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.37
ALDH1A1 P00352 3/20 0.34
CYP11B2 P19099 2/20 0.33
CYP11B1 P15538 1/20 0.33
MAOA P21397 1/20 0.33
KDM4E B2RXH2 3/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
PIP4K2A P48426 1/20 0.32
ADORA1 P30542 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAP2K4 P45985 1/20 0.31
PIK3CD O00329 1/20 0.30
ROCK2 O75116 1/20 0.30
ACHE P22303 1/20 0.30
GRIN1 Q05586 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
SCHEMBL21378007 0.97 CYP11B2 (0.38) ELANEALDH1A1CYP11B2CYP11B1MAOA
SCHEMBL21378078 0.91 CYP11B2 (0.38) ELANEALDH1A1CYP11B2CYP11B1MAOA
SCHEMBL21378029 0.90 KDM4E (0.39) ELANEALDH1A1KDM4ERXFP1CYP1A2
SCHEMBL21396606 0.88 PDE9A (0.37) ELANEALDH1A1CYP11B2KDM4ERXFP1
SCHEMBL21396902 0.88 PDE9A (0.37) ELANEALDH1A1CYP11B2KDM4ERXFP1
SCHEMBL21396872 0.85 CYP11B2 (0.37) CYP11B2CYP11B1MAOAKDM4EROCK2
SCHEMBL21378079 0.85 CYP11B2 (0.37) CYP11B2CYP11B1MAOAKDM4EROCK2
SCHEMBL21378046 0.84 CYP11B2 (0.39) ELANEALDH1A1CYP11B2CYP11B1MAOA
SCHEMBL21378077 0.83 CYP11B2 (0.40) ELANECYP11B2CYP11B1MAOAKDM4E
SCHEMBL21378086 0.82 PTGDR2 (0.36) ELANEALDH1A1CYP11B2KDM4ERXFP1

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 ELANE 1300/4885ALDH1A1 242/4885CYP11B2 1221/4885
US-11608333-B2 Composition of matter for use in organic light-emitting diodes CRY2, SLCO1B3, NDUFV3 ELANE 1300/4885ALDH1A1 242/4885CYP11B2 1221/4885

“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.