SCHEMBL24487124

SCHEMBL24487124

N=C(N)NCCCOC(=O)Cc1cc(=O)oc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.43
▸ KDM4E B2RXH2 5/20 0.43
▸ GAA P10253 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ HPGD P15428 2/20 0.42
▸ KCNA3 P22001 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37

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
SCHEMBL21533758 0.94 KDM4E (0.45) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL24820151 0.86 NPC1 (0.42) ALDH1A1KDM4EGAAHPGDLMNA
SCHEMBL21171750 0.84 ACHE (0.48) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL21171772 0.84 ALDH1A1 (0.42) ALDH1A1KDM4EGAAHPGDKCNA3
SCHEMBL3918141 0.80 KCNA3 (0.60) KCNA3
SCHEMBL21171972 0.79 ALDH1A1 (0.43) ALDH1A1KDM4EGAAHPGDRECQL
SCHEMBL24487254 0.78 NQO1 (0.43) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL24487071 0.78 KDM4E (0.44) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL19636623 0.78 PON1 (0.50) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL3918098 0.76 KCNA3 (0.57) KCNA3

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-11352325-B2 Rapid fluorescence tagging of glycans and other biomolecules with enhanced MS signals WATERS TECHNOLOGIES CORPORATION (US) 2022-06-07 — — 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-11352325-B2 Rapid fluorescence tagging of glycans and other biomolecules with enhanced MS signals FUT5, FUT6, ST3GAL3 ALDH1A1 1650/4885KDM4E 2975/4885GAA 190/4885

“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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