SCHEMBL25458684

SCHEMBL25458684

C=C/C=C\C=C(/C)c1cc(-c2cc(-c3cc(-c4ccccc4)ccn3)cc(-c3cc(-c4ccccc4)ccn3)c2)cc(-c2ccccc2)n1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 9/20 0.38
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ EGFR P00533 1/20 0.34
▸ SMO Q99835 2/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ ASIC3 Q9UHC3 1/20 0.33
▸ MAP4K4 O95819 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32

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
SCHEMBL22102810 0.86 MCL1 (0.36) MCL1ADORA3ADORA2BADORA1MEN1
SCHEMBL20936376 0.85 MCL1 (0.41) MCL1ADORA3ADORA2BADORA1MEN1
SCHEMBL19368575 0.81 MCL1 (0.41) MCL1ADORA3ADORA2BADORA1MEN1
SCHEMBL24627008 0.81 KDM4E (0.34) ADORA3ADORA2BADORA1EGFRCYP19A1
SCHEMBL24589096 0.77 MCL1 (0.37) MCL1ADORA3ADORA2BADORA1MEN1
SCHEMBL19216510 0.75 MCL1 (0.34) MCL1ADORA3ADORA2BADORA1
SCHEMBL21975598 0.75 ADORA1 (0.41) MCL1ADORA3ADORA2BADORA1MEN1
SCHEMBL17932831 0.75 CYP19A1 (0.53) ADORA3ADORA2BADORA1SMOPIM1
SCHEMBL23570767 0.74 MEN1 (0.43) ASIC3MEN1KMT2A
SCHEMBL23193330 0.72 MCL1 (0.38) MCL1ADORA3ADORA2BADORA1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230301179-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-09-21 — — US disclosed
US-20230269997-A1 LIGHT EMITTING ELEMENT AND POLYCYCLIC COMPOUND FOR THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2023-08-24 — — US disclosed
US-20230146532-A1 LIGHT EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-05-11 — — 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 (3 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-20230269997-A1 LIGHT EMITTING ELEMENT AND POLYCYCLIC COMPOUND FOR THE SAME LAGE3, CRY1, CRY2 MCL1 3528/4885ADORA3 3905/4885ADORA2B 4388/4885
US-20230146532-A1 LIGHT EMITTING DEVICE LAGE3, CRY2, EML4 MCL1 3841/4885ADORA3 2679/4885ADORA2B 2595/4885
US-20230301179-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE CRY1, AOX1, CYP1A1 MCL1 2219/4885ADORA3 3902/4885ADORA2B 3961/4885

“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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