SCHEMBL23790503

SCHEMBL23790503

c1ccc(-c2cc(N(c3ccccc3-c3ccccc3)c3cccc4ccccc34)c3cc(N(c4ccccc4-c4ccccc4)c4cccc5ccccc45)c(-c4ccccc4)cc3c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.37
▸ HPGD P15428 4/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ TSHR P16473 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CA12 O43570 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ MEN1 O00255 1/20 0.35

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
SCHEMBL23790433 0.96 KDM4E (0.37) ALDH1A1HPGDKDM4EMAPTTSHR
SCHEMBL23790399 0.90 KDM4E (0.36) ALDH1A1HPGDKDM4EMAPTTSHR
SCHEMBL23790448 0.90 SIGMAR1 (0.35) ALDH1A1HPGDKDM4EMAPTTSHR
SCHEMBL23790444 0.89 CA12 (0.40) ALDH1A1HPGDKDM4EMAPTTSHR
SCHEMBL23790603 0.89 CA12 (0.40) ALDH1A1HPGDKDM4EMAPTTSHR
SCHEMBL23790607 0.87 CA12 (0.35) ALDH1A1HPGDKDM4EMAPTTSHR
SCHEMBL23790685 0.87 ALDH1A1 (0.32) ALDH1A1HPGDKDM4EMAPTTSHR
SCHEMBL23790391 0.86 KDM4E (0.39) ALDH1A1HPGDKDM4EMAPTTSHR
SCHEMBL23790625 0.86 KDM4E (0.39) ALDH1A1HPGDKDM4EMAPTTSHR
SCHEMBL23790502 0.85 KDM4E (0.31) ALDH1A1HPGDKDM4EMAPTMEN1

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-20210280786-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND DIAMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2021-09-09 — — 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-20210280786-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND DIAMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE AOC1, ODC1, SAT1 ALDH1A1 32/4885HPGD 1721/4885KDM4E 1642/4885

“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.

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