SCHEMBL5475911

SCHEMBL5475911

C/C(CC(C)C)=N\CCBr

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTT P42858 1/20 0.31

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
SCHEMBL5475914 1.00 ALDH1A1 (0.35) ALDH1A1TDP1HTT
SCHEMBL4391808 0.85 HTT (0.42) ALDH1A1TDP1HTT
SCHEMBL31448630 0.80 ALDH1A1 (0.38) ALDH1A1TDP1HTT
SCHEMBL991349 0.79 ALDH1A1 (0.33) ALDH1A1TDP1HTT
SCHEMBL9950848 0.78 ALDH1A1 (0.36) ALDH1A1TDP1HTT
SCHEMBL9950853 0.78 ALDH1A1 (0.36) ALDH1A1TDP1HTT
SCHEMBL10022735 0.78 ALDH1A1 (0.36) ALDH1A1TDP1HTT
SCHEMBL11892004 0.78 ALDH1A1 (0.36) ALDH1A1TDP1HTT
SCHEMBL143770 0.78 ALDH1A1 (0.36) ALDH1A1TDP1HTT
SCHEMBL16314558 0.78 ALDH1A1 (0.36) ALDH1A1TDP1HTT

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-20070275944-A1 Antioxidants and methods of their use THE BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY 2007-11-29 US disclosed
WO-2007117558-A2 ANTIOXIDANTS AND METHODS OF THEIR USE MICHIGAN STATE UNIVERSITY (US) 2007-10-18 WO 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-20070275944-A1 Antioxidants and methods of their use GPX1, GPX4, SOD1 ALDH1A1 408/4885TDP1 475/4885HTT 157/4885

“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.