SCHEMBL25880388

SCHEMBL25880388

c1cc(-c2ccc3c4c2c2ccccc2n4c2ccc(-c4cccc(C5CCCCC5)c4)c4c5ccccc5n3c42)cc(C2CCCCC2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 1/20 0.35
▸ PDK2 Q15119 1/20 0.35
▸ HDAC4 P56524 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ TAF1 P21675 1/20 0.32
▸ SLC18A3 Q16572 1/20 0.31
▸ PTPN5 P54829 2/20 0.31
▸ PTPN2 P17706 1/20 0.31
▸ CTSS P25774 1/20 0.31
▸ CTSK P43235 1/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ DHODH Q02127 1/20 0.31
▸ PDE2A O00408 1/20 0.31
▸ TP53 P04637 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ RXFP1 Q9HBX9 1/20 0.30
▸ TPSAB1 Q15661 1/20 0.30

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
SCHEMBL25880391 0.92 PTPN5 (0.36) KMOPDK2PTPN5PTPN2
SCHEMBL25880407 0.91 PDK2 (0.34) PDK2SLC18A3PARP1TDP1L3MBTL1
SCHEMBL25880410 0.90 KMO (0.35) KMOPDK2HDAC4HDAC2HDAC8
SCHEMBL25946047 0.86 — —
SCHEMBL22178714 0.78 MEN1 (0.38) KMOPDK2SLC18A3PARP1TDP1
SCHEMBL25880382 0.77 HSD17B10 (0.36) KMOTDP1L3MBTL1MAPT
SCHEMBL25880386 0.77 PTGS2 (0.40) PDK2PTPN5PTPN2PARP1
SCHEMBL25880354 0.75 HSD17B10 (0.41) PARP1L3MBTL1MAPT
SCHEMBL22178506 0.75 PARP1 (0.38) KMOPDK2SLC18A3PARP1TDP1
SCHEMBL25880361 0.75 NPC1 (0.42) L3MBTL1TP53MAPTRXFP1

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-20230240135-A1 HETEROCYLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE HETEROCYCLIC COMPOUND AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-07-27 — — US disclosed
US-20230240135-A1 HETEROCYLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE HETEROCYCLIC COMPOUND AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-07-27 — — 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-20230240135-A1 HETEROCYLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE HETEROCYCLIC COMPOUND AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE CRY1, LAGE3, NQO1 KMO 835/4885PDK2 420/4885HDAC4 2506/4885

“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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