SCHEMBL4544705

SCHEMBL4544705

CN(C)CCOc1ccc(CC(C)(C)C)cc1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.66
KEAP1 Q14145 1/20 0.64
NFE2L2 Q16236 1/20 0.64
LTA4H P09960 2/20 0.60
KDM4E B2RXH2 3/20 0.50
POLB P06746 1/20 0.50
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CHRNB2 P17787 2/20 0.47
CHRNA4 P43681 2/20 0.47
KCNH2 Q12809 1/20 0.46

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
SCHEMBL679020 0.91 HRH3 (0.67) HRH3KEAP1NFE2L2LTA4HKDM4E
SCHEMBL13781502 0.80 HRH3 (0.68) HRH3KEAP1NFE2L2LTA4HKDM4E
SCHEMBL1908631 0.79 LTA4H (0.50) LTA4HKDM4EPOLBALDH1A1SMN1; SMN2
SCHEMBL8430078 0.79 HRH3 (0.72) HRH3KEAP1NFE2L2LTA4HKDM4E
SCHEMBL9972846 0.79 ESR1 (0.47) HRH3KEAP1NFE2L2ALDH1A1SMN1; SMN2
SCHEMBL13652493 0.79 LMNA (0.55) LTA4HKDM4EALDH1A1SMN1; SMN2
SCHEMBL678570 0.78 HRH3 (0.56) HRH3LTA4HKDM4E
SCHEMBL4607528 0.78 HRH3 (0.70) HRH3KEAP1NFE2L2LTA4HKDM4E
SCHEMBL14608491 0.78 HRH3 (0.70) HRH3KEAP1NFE2L2LTA4HKDM4E
SCHEMBL185585 0.78 HRH3 (0.70) HRH3KEAP1NFE2L2LTA4HKDM4E

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-8957075-B2 O-GlcNAc transferase inhibitors and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-02-17 US disclosed
US-20120108605-A1 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-03 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-20120108605-A1 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF OGA, OGT, UGGT1 HRH3 4616/4885KEAP1 392/4885NFE2L2 1192/4885

“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.