SCHEMBL5057006

SCHEMBL5057006

CC(O)C(CCN)(C(C)O)C(C)O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.35
GABBR2 O75899 2/20 0.33
GABBR1 Q9UBS5 2/20 0.33
TRPV1 Q8NER1 1/20 0.31
TRPA1 O75762 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
SCHEMBL1352445 0.75 GABRR1 (0.32) GABRR1GABBR2GABBR1
SCHEMBL5181938 0.74
SCHEMBL27532818 0.74
SCHEMBL7909746 0.73 TSHR (0.37)
SCHEMBL18513851 0.69
Isopropyl Alcohol SCHEMBL7102704 0.66 ALDH1A1 (0.55) GABRR1GABBR2GABBR1TRPV1TRPA1
Isopropyl Alcohol SCHEMBL8501608 0.66
SCHEMBL3195828 0.65 TSHR (0.30)
SCHEMBL19664166 0.65
SCHEMBL1537382 0.65 FDPS (0.38) TRPV1TRPA1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109836568-A A method of polyphenylene ether copolymer is prepared in oil/water two-phase medium 中国科学院大连化学物理研究所 2019-06-04 CN claimed
CN-109836568-A A method of polyphenylene ether copolymer is prepared in oil/water two-phase medium 中国科学院大连化学物理研究所 2019-06-04 CN disclosed
CN-108456179-A Compound TVA-X with neuroprotection and its preparation method and application 雷鹏程 2018-08-28 CN disclosed
US-7862807-B2 Dendrimers as molecular translocators UNIVERSITY OF CALIFORNIA, SAN DIEGO (US) 2011-01-04 US disclosed
US-20080221020-A1 Dendrimers as Molecular Translocators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-09-11 US disclosed
US-20060216265-A1 Dendrimers as molecular translocators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2006-09-28 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-20060216265-A1 Dendrimers as molecular translocators SLC29A1, SLC29A2, TSPO GABRR1 1263/4885GABBR2 1895/4885GABBR1 2042/4885
US-20080221020-A1 Dendrimers as Molecular Translocators SLC29A1, SLC29A2, TSPO GABRR1 1263/4885GABBR2 1895/4885GABBR1 2042/4885

“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.