SCHEMBL2969280

SCHEMBL2969280

CC(CCNO)OC1CC(C)(C)N(O)C(C)(C)C1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.31
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTT P42858 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
SCHEMBL3434546 0.78 GAA (0.35) GAAL3MBTL1HTT
SCHEMBL23355258 0.76 GAA (0.33) GAAL3MBTL1HTT
SCHEMBL7631028 0.74 GAA (0.40) GAAL3MBTL1HTT
SCHEMBL1401806 0.72 GAA (0.39) GAAL3MBTL1HTT
SCHEMBL13644856 0.69 GAA (0.30) GAAHTT
SCHEMBL15715837 0.67 GAA (0.30) GAAL3MBTL1
SCHEMBL15715839 0.67 GAA (0.30) GAAL3MBTL1
SCHEMBL313828 0.67 GAA (0.34) GAAL3MBTL1HTT
SCHEMBL23355259 0.67 GAA (0.34) GAAL3MBTL1HTT
SCHEMBL2969285 0.67 GAA (0.32) GAAL3MBTL1HTT

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-7776182-B2 Chlorohydrin and cationic compounds having high affinity for pulp or paper CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-08-17 US disclosed
US-20080060775-A1 Chlorohydrin and cationic compounds having high affinity for pulp or paper CUNKLE GLEN T 2008-03-13 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-20080060775-A1 Chlorohydrin and cationic compounds having high affinity for pulp or paper NISCH, HNMT, LCT GAA 1880/4885KDM4E 1242/4885L3MBTL1 834/4885

“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.