SCHEMBL21533705

SCHEMBL21533705

CCN(CC)CCOC(=O)OCc1cc(=O)oc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDYL Q9Y232 1/20 0.46
▸ KDM4E B2RXH2 6/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ MAPT P10636 4/20 0.45
▸ HPGD P15428 4/20 0.45
▸ LMNA P02545 4/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ POLB P06746 3/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ GLA P06280 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ CYP2D6 P10635 2/20 0.45
▸ XDH P47989 1/20 0.44
▸ NPC1 O15118 7/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ USP2 O75604 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44

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
SCHEMBL9958831 0.85 CA12 (0.51) KDM4EMEN1KMT2AMAPTHPGD
SCHEMBL24486825 0.85 CYP2D6 (0.58) CDYLKDM4EHPGDLMNASMN1; SMN2
SCHEMBL24486829 0.84 XDH (0.48) KDM4EPOLBCYP1A2CYP3A4CYP2C19
SCHEMBL21533706 0.82 MEN1 (0.45) KDM4EMEN1KMT2AMAPTHPGD
SCHEMBL14329543 0.80 HSD17B3 (0.51) KDM4EMEN1KMT2AMAPTHPGD
SCHEMBL21171697 0.80 KDM4E (0.48) CDYLKDM4EMEN1KMT2AHPGD
SCHEMBL21533749 0.79 MEN1 (0.42) KDM4EMEN1KMT2AMAPTHPGD
SCHEMBL21533686 0.79 ALDH1A1 (0.48) KDM4EMEN1KMT2AMAPTHPGD
SCHEMBL24637668 0.79 HPGD (0.48) KDM4EMEN1KMT2AMAPTHPGD
SCHEMBL24487061 0.78 KMT2A (0.42) KDM4EMEN1KMT2AMAPTHPGD

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-11061023-B2 Fluorescence tagging of glycans and other biomolecules through reductive amination for enhanced MS signals WATERS TECHNOLOGIES CORPORATION (US) 2021-07-13 — — US disclosed
US-20190331669-A1 FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES THROUGH REDUCTIVE AMINATION FOR ENHANCED MS SIGNALS WATERS TECHNOLOGIES CORPORATION (US) 2019-10-31 — — 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 (2 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-20190331669-A1 FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES THROUGH REDUCTIVE AMINATION FOR ENHANCED MS SIGNALS FUT5, FUT6, OGT CDYL 3953/4885KDM4E 3466/4885MEN1 3289/4885
US-11061023-B2 Fluorescence tagging of glycans and other biomolecules through reductive amination for enhanced MS signals FUT5, FUT6, OGT CDYL 3953/4885KDM4E 3466/4885MEN1 3289/4885

“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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