SCHEMBL12966656

SCHEMBL12966656

O=CNC(=O)Cc1ccc(OCCO)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ PDE4A P27815 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ HDAC10 Q969S8 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ GAA P10253 1/20 0.44
▸ PSMB5 P28074 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ MAPT P10636 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
SCHEMBL12966692 0.86 SMN1; SMN2 (0.50) SMN1; SMN2KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL7915995 0.85 KDM4E (0.52) SMN1; SMN2KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL12966730 0.84 KDM4E (0.51) SMN1; SMN2KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL12966731 0.83 ALDH1A1 (0.58) SMN1; SMN2KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL12966750 0.82 SMN1; SMN2 (0.54) SMN1; SMN2KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL7905684 0.78 SMN1; SMN2 (0.55) SMN1; SMN2KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL7906084 0.78 GAA (0.54) SMN1; SMN2ALDH1A1GAARECQLMAPT
SCHEMBL7713619 0.76 PLA2G4B (0.56) ALDH1A1LMNAGAAHTTRECQL
SCHEMBL2633187 0.76 CYP4F2 (0.64) SMN1; SMN2KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL7153441 0.75 POLB (0.56) SMN1; SMN2KDM4ECYP1A2CYP2D6PDE4A

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-20120252741-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS BIOMARIN PHARMACEUTICAL INC. (US) 2012-10-04 — — 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-20120252741-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS ASNS, DNPEP, ALG8 SMN1; SMN2 3534/4885KDM4E 701/4885CYP1A2 2549/4885

“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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