SCHEMBL31109593

SCHEMBL31109593

Clc1cc(-c2ccc(C34CCC(CC3)C4)cc2)nc(-c2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ HSP90AB1 P08238 1/20 0.42
▸ MEN1 O00255 7/20 0.40
▸ KMT2A Q03164 7/20 0.40
▸ HPGD P15428 5/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ MAPT P10636 4/20 0.40
▸ NTSR1 P30989 1/20 0.40
▸ ADORA2A P29274 5/20 0.38
▸ ADORA1 P30542 5/20 0.38
▸ ADORA3 P0DMS8 3/20 0.38
▸ ATP4A P20648 1/20 0.37
▸ ATP4B P51164 1/20 0.37
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ CTDSP1 Q9GZU7 1/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL31109577 0.84 HTT (0.43) KDM4ELMNAMEN1KMT2AHPGD
SCHEMBL17412405 0.77 KDM4E (0.61) KDM4ELMNAHSP90AA1HSP90AB1MEN1
SCHEMBL17412180 0.77 KDM4E (0.61) KDM4ELMNAHSP90AA1HSP90AB1MEN1
SCHEMBL17412407 0.77 KDM4E (0.61) KDM4ELMNAHSP90AA1HSP90AB1MEN1
SCHEMBL29518902 0.77 KDM4E (0.61) KDM4ELMNAHSP90AA1HSP90AB1MEN1
SCHEMBL423874 0.77 KDM4E (0.66) KDM4ELMNAHSP90AA1HSP90AB1MEN1
SCHEMBL31109605 0.75 HTT (0.40) KDM4ELMNAMEN1KMT2AHPGD
SCHEMBL6504250 0.74 CTRC (0.58) KDM4ELMNAHSP90AA1HSP90AB1MEN1
SCHEMBL38654829 0.74 CTRC (0.58) KDM4ELMNAHSP90AA1HSP90AB1MEN1
SCHEMBL23311641 0.73 HTT (0.46) KDM4ELMNAMEN1KMT2AHPGD

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-20240334820-A1 LIGHT-EMITTING DEVICE INCLUDING HETEROCYCLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND THE HETEROCYCLIC COMPOUND SOLUS ADVANCED MATERIALS CO., LTD. (KR) 2024-10-03 — — US disclosed
CN-118632607-A Light-emitting device, electronic apparatus, electronic device, and heterocyclic compound 三星显示有限公司 2024-09-10 — — CN 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-20240334820-A1 LIGHT-EMITTING DEVICE INCLUDING HETEROCYCLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND THE HETEROCYCLIC COMPOUND CRY1, NQO1, LAGE3 KDM4E 3280/4885LMNA 1573/4885HSP90AA1 4352/4885

“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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