SCHEMBL25965105

SCHEMBL25965105

COC(=O)NCCOCCOCCC(=O)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ EPHX1 P07099 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ ADRB2 P07550 1/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ CHRNB2 P17787 2/20 0.31
▸ CHRNB4 P30926 2/20 0.31
▸ CHRNA3 P32297 2/20 0.31
▸ CHRNA4 P43681 2/20 0.31
▸ ACHE P22303 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ HTT P42858 1/20 0.30
▸ TSHR P16473 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
SCHEMBL25963054 0.87 MEN1 (0.46) MEN1KMT2ASMN1; SMN2LMNAADRB2
SCHEMBL26551992 0.85 KMT2A (0.45) MEN1KMT2ASMN1; SMN2LMNACHRNB2
SCHEMBL25963053 0.85 MEN1 (0.43) MEN1KMT2ASMN1; SMN2LMNACHRNB2
SCHEMBL12445443 0.84 MEN1 (0.50) MEN1KMT2ASMN1; SMN2KDM4EHSD17B10
SCHEMBL25129535 0.84 KMT2A (0.59) MEN1KMT2ASMN1; SMN2KDM4EHTT
SCHEMBL23386933 0.84 MEN1 (0.50) MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL27371560 0.84 KMT2A (0.59) MEN1KMT2ASMN1; SMN2KDM4EHTT
SCHEMBL25128825 0.84 KMT2A (0.59) MEN1KMT2ASMN1; SMN2KDM4EHTT
SCHEMBL27375087 0.84 MEN1 (0.50) MEN1KMT2ASMN1; SMN2KDM4EHSD17B10
SCHEMBL20223534 0.84 MEN1 (0.44) MEN1KMT2ASMN1; SMN2LMNACHRNB2

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-20230256109-A1 Trans-Cyclooctene Bioorthogonal Agents and Uses in Cancer and Immunotherapy TAMBO, INC. 2023-08-17 — — 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-20230256109-A1 Trans-Cyclooctene Bioorthogonal Agents and Uses in Cancer and Immunotherapy ICOS, CD74, PBK MEN1 862/4885KMT2A 3246/4885EPHX1 813/4885

“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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