SCHEMBL22679441

SCHEMBL22679441

Cc1cc(C)c(-c2c3ccccc3cc3c2c2cccc4c5ccccc5n3c42)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.45
CYP2A6 P11509 2/20 0.45
ALKBH5 Q6P6C2 1/20 0.38
FTO Q9C0B1 1/20 0.38
TOP2A P11388 2/20 0.33
MAPT P10636 5/20 0.33
HPGD P15428 3/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 3/20 0.33
KMT2A Q03164 3/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 2/20 0.33
POLB P06746 1/20 0.33
CES1 P23141 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CHEK1 O14757 1/20 0.32
HSD17B10 Q99714 2/20 0.32
GAA P10253 3/20 0.31

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
SCHEMBL22679285 0.87 CYP1A2 (0.38) CYP1A2CYP2A6ALKBH5FTOTOP2A
SCHEMBL22679621 0.87 ENPP3 (0.36) CYP1A2CYP2A6ALKBH5FTOTOP2A
SCHEMBL21718055 0.86 CYP1A2 (0.41) CYP1A2CYP2A6ALKBH5FTOTOP2A
SCHEMBL21717629 0.83 CYP1A2 (0.36) CYP1A2CYP2A6TOP2AHPGDALDH1A1
SCHEMBL21717847 0.82 TOP2A (0.44) CYP1A2CYP2A6ALKBH5FTOTOP2A
SCHEMBL22679439 0.81 ALOX5 (0.38) CYP1A2ALKBH5FTOMAPTHPGD
SCHEMBL21718116 0.80 ALOX5 (0.35) CYP1A2MAPTHPGDALDH1A1KDM4E
SCHEMBL21718033 0.80 ALOX5 (0.36) CYP1A2ALKBH5FTOTOP2AMAPT
SCHEMBL21718324 0.78 CES1 (0.39) CYP1A2CYP2A6ALKBH5FTOTOP2A
SCHEMBL21127389 0.78 ALKBH5 (0.41) CYP1A2CYP2A6ALKBH5FTOMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11723272-B2 Organic electroluminescence element and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2023-08-08 US disclosed
US-11723272-B2 Organic electroluminescence element and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2023-08-08 US disclosed
US-20210005825-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2021-01-07 US disclosed
US-20200365812-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2020-11-19 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-20210005825-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE OR51E2, CD99, CTNND1 CYP1A2 259/4885CYP2A6 2475/4885ALKBH5 1574/4885

“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.