SCHEMBL9989357

SCHEMBL9989357

O=Cc1ccc(O)c(Oc2cc(C=O)ccc2O)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.71
ALDH5A1 P51649 3/20 0.71
ABAT P80404 3/20 0.71
TRIM24 O15164 1/20 0.71
HPGD P15428 1/20 0.71
TDP1 Q9NUW8 1/20 0.71
TRIM33 Q9UPN9 1/20 0.71
KDM4E B2RXH2 2/20 0.61
PTGS2 P35354 1/20 0.61
RAB9A P51151 1/20 0.61
AOX1 Q06278 1/20 0.55
TTR P02766 4/20 0.53
TSHR P16473 1/20 0.50
XDH P47989 1/20 0.49
TRPA1 O75762 1/20 0.46
CYP1A2 P05177 1/20 0.44
ALOX5 P09917 1/20 0.44
CYP2D6 P10635 1/20 0.44
NFKB1 P19838 1/20 0.44
HSD11B1 P28845 1/20 0.44

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
SCHEMBL6062329 0.85 TTR (0.64) ALDH1A1ALDH5A1ABATTRIM24HPGD
SCHEMBL12189867 0.85 ALDH1A1 (0.69) ALDH1A1ALDH5A1ABATTRIM24HPGD
Vanillin SCHEMBL1213 0.83 ALDH1A1 (1.00) ALDH1A1ALDH5A1ABATTRIM24HPGD
SCHEMBL1012820 0.83 ALDH1A1 (0.67) ALDH1A1ALDH5A1ABATTRIM24HPGD
Vanillin SCHEMBL29354839 0.83 ALDH1A1 (1.00) ALDH1A1ALDH5A1ABATTRIM24HPGD
Vanillin SCHEMBL720723 0.83 ALDH1A1 (1.00) ALDH1A1ALDH5A1ABATTRIM24HPGD
SCHEMBL7259633 0.82 ALDH1A1 (0.60) ALDH1A1ALDH5A1ABATTRIM24HPGD
Vanillin SCHEMBL11269339 0.82 ALDH1A1 (0.96) ALDH1A1ALDH5A1ABATTRIM24HPGD
Vanillin SCHEMBL8853913 0.82 ALDH1A1 (0.96) ALDH1A1ALDH5A1ABATTRIM24HPGD
Vanillin SCHEMBL20549709 0.82 ALDH1A1 (0.96) ALDH1A1ALDH5A1ABATTRIM24HPGD

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-8431750-B2 Preparation of hydroxyaromatic aldehydes RHODIA OPERATIONS (FR) 2013-04-30 US disclosed
US-20110306802-A1 PREPARATION OF HYDROXYAROMATIC ALDEHYDES SPECIALTY OPERATIONS FRANCE (FR) 2011-12-15 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-20110306802-A1 PREPARATION OF HYDROXYAROMATIC ALDEHYDES AOX1, ALDH2, ALDH1A1 ALDH1A1 3/4885ALDH5A1 4/4885ABAT 243/4885

“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.