SCHEMBL21765767

SCHEMBL21765767

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1c(-n2c3ccccc3c3ccccc32)c(C#N)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1-n1c2ccccc2c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.39
RORC P51449 8/20 0.39
PGR P06401 1/20 0.39
RORA P35398 1/20 0.39
RORB Q92753 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CASP1 P29466 1/20 0.38
EGFR P00533 1/20 0.37
SRC P12931 1/20 0.37
MAPK1 P28482 2/20 0.36
STAT3 P40763 1/20 0.36
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
HBB P68871 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL29566175 1.00 KIF11 (0.39) KIF11RORCPGRRORARORB
SCHEMBL22146610 1.00 KIF11 (0.39) KIF11RORCPGRRORARORB
SCHEMBL22250882 1.00 KIF11 (0.39) KIF11RORCPGRRORARORB
SCHEMBL25513355 0.99 KIF11 (0.40) KIF11RORCPGRRORARORB
SCHEMBL20278728 0.93 HTR1D (0.37) KIF11RORCPGRRORARORB
SCHEMBL30589481 0.93 HTR1D (0.37) KIF11RORCPGRRORARORB
SCHEMBL30589482 0.93 HTR1D (0.37) KIF11RORCPGRRORARORB
SCHEMBL24077307 0.92 HTR3A (0.38) KIF11RORCPGRRORARORB
SCHEMBL21889103 0.91 HTR1D (0.36) KIF11RORCPGRRORARORB
SCHEMBL31059183 0.91 HTR1D (0.36) KIF11RORCPGRRORARORB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240023437-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, AND DESIGN METHOD AND PROGRAM FOR LIGHT EMITTING COMPOSITION KYULUX, INC. (JP) 2024-01-18 US disclosed
US-20240023437-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, AND DESIGN METHOD AND PROGRAM FOR LIGHT EMITTING COMPOSITION KYULUX, INC. (JP) 2024-01-18 US disclosed
US-20230225203-A1 ORGANIC LUMINESCENT ELEMENT KYULUX, INC. (JP) 2023-07-13 US disclosed
US-20230225203-A1 ORGANIC LUMINESCENT ELEMENT KYULUX, INC. (JP) 2023-07-13 US disclosed
US-20230209847-A1 ORGANIC LIGHT EMITTING ELEMENT KYULUX, INC. (JP) 2023-06-29 US disclosed
US-20230209847-A1 ORGANIC LIGHT EMITTING ELEMENT KYULUX, INC. (JP) 2023-06-29 US disclosed
US-20210202864-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT KYULUX, INC. (JP) 2021-07-01 US disclosed
US-20200235313-A1 COMPOUND, LIGHT-EMITTING MATERIAL AND LIGHT-EMITTING ELEMENT KYULUX, INC. (JP) 2020-07-23 US disclosed
WO-2020039708-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT 国立大学法人九州大学 2020-02-27 WO 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-20200235313-A1 COMPOUND, LIGHT-EMITTING MATERIAL AND LIGHT-EMITTING ELEMENT LBR, CTNND1, NCL KIF11 2542/4885RORC 1512/4885PGR 1832/4885
US-20210202864-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT LEF1, EMC1, EEA1 KIF11 1176/4885RORC 2128/4885PGR 3479/4885

“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.