SCHEMBL9988674

SCHEMBL9988674

O=C(O)[C@H](O)c1ccc(O)cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
TSHR P16473 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CES2 O00748 1/20 0.43
ALOX5 P09917 1/20 0.42
PTGS2 P35354 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL7458752 1.00 TYR (0.47) TYRCA12CA1CA2CA7
SCHEMBL19433125 0.84 TYR (0.39) TYRCA12CA1CA2CA7
SCHEMBL19433106 0.84 TYR (0.39) TYRCA12CA1CA2CA7
SCHEMBL19444459 0.81 TYR (0.48) TYRCA12CA1CA2CA7
SCHEMBL11529752 0.80 LMNA (0.57) TSHRALDH1A1MEN1KMT2ALMNA
SCHEMBL28064266 0.80 KMT2A (0.40) TYRCA12CA1CA2CA7
SCHEMBL5466925 0.80 ESR1 (0.55) CA12CA1CA2CA7CA9
SCHEMBL11233821 0.80 CES2 (0.46) CA12CA1CA2CA7CA9
SCHEMBL11233818 0.80 CES2 (0.46) CA12CA1CA2CA7CA9
SCHEMBL28064268 0.80 KMT2A (0.40) TYRCA12CA1CA2CA7

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 4 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 claimed
US-20110306802-A1 PREPARATION OF HYDROXYAROMATIC ALDEHYDES SPECIALTY OPERATIONS FRANCE (FR) 2011-12-15 US claimed
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 TYR 82/4885CA12 1164/4885CA1 681/4885

“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.