SCHEMBL4383015

SCHEMBL4383015

CC12OCC(c3ccc(C=O)cc3)(CO1)CO2

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.39
ALDH1A1 P00352 11/20 0.35
TYR P14679 1/20 0.35
CYP2A13 Q16696 1/20 0.35
HSD17B10 Q99714 2/20 0.34
ALDH5A1 P51649 1/20 0.34
ABAT P80404 1/20 0.34
ALDH1A3 P47895 2/20 0.33
ALDH3A1 P30838 1/20 0.33
KDM4E B2RXH2 3/20 0.33
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL2673169 0.74 CYP2A6 (0.39) CYP2A6ALDH1A1TYRCYP2A13HSD17B10
SCHEMBL4376737 0.74 PNMT (0.45) ALDH1A1
SCHEMBL13947217 0.73 CYP2A6 (0.44) CYP2A6ALDH1A1TYRCYP2A13HSD17B10
SCHEMBL3130144 0.73 CYP2A6 (0.41) CYP2A6ALDH1A1TYRCYP2A13HSD17B10
SCHEMBL27983894 0.70 ALDH1A1 (0.44) CYP2A6ALDH1A1TYRCYP2A13HSD17B10
SCHEMBL5177793 0.70 CYP2A6 (0.46) CYP2A6ALDH1A1TYRCYP2A13HSD17B10
SCHEMBL28948602 0.66 ALDH1A1 (0.42) CYP2A6ALDH1A1TYRCYP2A13HSD17B10
SCHEMBL8748149 0.66 ALDH1A1 (0.42) CYP2A6ALDH1A1TYRCYP2A13HSD17B10
SCHEMBL29087595 0.65 CYP2A6 (0.41) CYP2A6ALDH1A1TYRCYP2A13HSD17B10
SCHEMBL548601 0.65 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2

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-8173630-B2 Multipodal tethers for high-density attachment of redox-active moieties to substrates THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-05-08 US disclosed
US-20070108438-A1 Multypodal tethers for high-density attachment of redox-active moieties to substrates THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2007-05-17 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-20070108438-A1 Multypodal tethers for high-density attachment of redox-active moieties to substrates DNMT1, TET1, SOD1 CYP2A6 3333/4885ALDH1A1 77/4885TYR 2246/4885

“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.