SCHEMBL24486825

SCHEMBL24486825

CCN(CC)CCOC(=O)Cc1cc(=O)oc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 3/20 0.58
▸ CDYL Q9Y232 1/20 0.49
▸ XDH P47989 1/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ GLA P06280 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ALK Q9UM73 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TSHR P16473 2/20 0.42
▸ CYP3A4 P08684 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MLNR O43193 1/20 0.41
▸ CACNA1F O60840 1/20 0.41
▸ PHF2 O75151 1/20 0.41
▸ ABCB11 O95342 1/20 0.41
▸ NR3C1 P04150 1/20 0.41
▸ ERBB2 P04626 1/20 0.41

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
SCHEMBL21533705 0.85 CDYL (0.46) CYP2D6CDYLXDHKDM4EALDH1A1
SCHEMBL24486829 0.81 XDH (0.48) XDHKDM4EALDH1A1ALKCYP1A2
SCHEMBL21533666 0.79 KDM4E (0.47) KDM4EALDH1A1GLACYP1A2CYP3A4
SCHEMBL21533658 0.79 KDM4E (0.45) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL27834820 0.78 KDM4E (0.52) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL21533671 0.78 KDM4E (0.44) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL24487071 0.77 KDM4E (0.44) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL21533706 0.76 MEN1 (0.45) XDHKDM4EALDH1A1GLAHPGD
SCHEMBL24486820 0.76 CYP2D6 (0.41) CYP2D6CDYLKDM4EALDH1A1GLA
SCHEMBL4369173 0.76 TDP1 (0.54) CYP2D6XDHKDM4EALDH1A1HPGD

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 CYP2D6 2067/4885CDYL 3641/4885XDH 4462/4885

“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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