SCHEMBL4624282

SCHEMBL4624282

COC(OC)C(O)c1ccccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.50
GABRB2 P47870 2/20 0.50
TSHR P16473 5/20 0.45
CA2 P00918 4/20 0.40
CA1 P00915 3/20 0.40
TP53 P04637 2/20 0.40
POLB P06746 2/20 0.37
LMNA P02545 4/20 0.36
CYP3A4 P08684 3/20 0.36
HPGD P15428 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
ALOX15 P16050 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CA12 O43570 2/20 0.36
CA14 Q9ULX7 2/20 0.36
BLM P54132 2/20 0.36
HIF1A Q16665 2/20 0.36
TDP1 Q9NUW8 2/20 0.36

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
SCHEMBL30195663 0.82 GABRA1 (0.62) GABRA1GABRB2TSHRCA2CA1
SCHEMBL11504087 0.82 GABRA1 (0.62) GABRA1GABRB2TSHRCA2CA1
SCHEMBL12289139 0.82 GABRA1 (0.54) GABRA1GABRB2TSHRCA2CA1
SCHEMBL467714 0.78 GABRA1 (0.54) GABRA1GABRB2TSHRCA2CA1
SCHEMBL30314538 0.76 GABRA1 (0.56) GABRA1GABRB2TSHRCA2CA1
SCHEMBL9755150 0.76 GABRA1 (0.56) GABRA1GABRB2TSHRCA2CA1
SCHEMBL5142961 0.76 GABRA1 (0.56) GABRA1GABRB2TSHRCA2CA1
SCHEMBL9157882 0.76 GABRA1 (0.62) GABRA1GABRB2TSHRCA2CA1
SCHEMBL4624079 0.75 TRPA1 (0.43) TP53LMNAHPGDALDH1A1MAPT
SCHEMBL22576311 0.75 GABRA1 (0.45) GABRA1GABRB2TSHRCA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1125908-B1 New phenolic compounds derived from dialkoxyethanals, their preparation process and their application CLARIANT SPECIALTY FINE CHEM (FR) 2008-06-04 EP claimed
US-20170121459-A1 POLYMERIC ALPHA-HYDROXY ALDEHYDE AND KETONE REAGENTS AND CONJUGATION METHOD NEKTAR THERAPEUTICS 2017-05-04 US disclosed
US-9579392-B2 Polymeric alpha-hydroxy aldehyde and ketone reagents and conjugation method NEKTAR THERAPEUTICS (US) 2017-02-28 US disclosed
US-20160144046-A1 POLYMERIC ALPHA-HYDROXY ALDEHYDE AND KETONE REAGENTS AND CONJUGATION METHOD NEKTAR THERAPEUTICS 2016-05-26 US disclosed
US-9228053-B2 Polymeric alpha-hydroxy aldehyde and ketone reagents and conjugation method NEKTAR THERAPEUTICS (US) 2016-01-05 US disclosed
US-20130280783-A1 POLYMERIC ALPHA-HYDROXY ALDEHYDE AND KETONE REAGENTS AND CONJUGATION METHOD NEKTAR THERAPEUTICS 2013-10-24 US disclosed
US-8492503-B2 Polymeric alpha-hydroxy aldehyde and ketone reagents and conjugation method NEKTAR THERAPEUTICS (US) 2013-07-23 US disclosed
US-20110230618-A1 Polymeric Alpha-Hydroxy Aldehyde and Ketone Reagents and Conjugation Method NEKTAR THERAPEUTICS (US) 2011-09-22 US disclosed
WO-2010030366-A2 POLYMERIC ALPHA-HYDROXY ALDEHYDE AND KETONE REAGENTS AND CONJUGATION METHOD NEKTAR THERAPEUTICS (US) 2010-03-18 WO disclosed
EP-1125908-B1 New phenolic compounds derived from dialkoxyethanals, their preparation process and their application CLARIANT SPECIALTY FINE CHEM (FR) 2008-06-04 EP disclosed
EP-1125908-B1 New phenolic compounds derived from dialkoxyethanals, their preparation process and their application CLARIANT SPECIALTY FINE CHEM (FR) 2008-06-04 EP disclosed
CN-1202063-C Method for preparing novel phenol compound divirated from dialkoxy acetaldehyde CLANIANT GMBH (FR) 2005-05-18 CN disclosed
US-6774267-B2 REACTING A PHENOL COMPOUND WITH AN ALDEHYDE CONTAINING DIALKOXYMETHYL OR 1,3-DIOXOLAN-2-YL GROUP IN PRESENCE OF A BASE CLARIANT FRANCE (FR) 2004-08-10 US disclosed
CN-1337387-A Method for preparing novel phenol compound divirated from dialkoxy acetaldehyde CLANIANT GMBH (FR) 2002-02-27 CN disclosed
US-20010016664-A1 New phenolic compounds derived from dialkoxyethanals, their preparation process and their application CLARIANT (FRANCE) S.A. 2001-08-23 US disclosed
EP-1125908-A1 New phenolic compounds derived from dialkoxyethanals, their preparation process and their application Clariant (France) S.A. (FR) 2001-08-22 EP 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 (3 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-20160144046-A1 POLYMERIC ALPHA-HYDROXY ALDEHYDE AND KETONE REAGENTS AND CONJUGATION METHOD ASPH, ALDH1A1, ADH1C GABRA1 1284/4885GABRB2 1717/4885TSHR 3391/4885
US-20010016664-A1 New phenolic compounds derived from dialkoxyethanals, their preparation process and their application CYC1, CCNY, MT-CO1 GABRA1 4518/4885GABRB2 4702/4885TSHR 3268/4885
US-20130280783-A1 POLYMERIC ALPHA-HYDROXY ALDEHYDE AND KETONE REAGENTS AND CONJUGATION METHOD ASPH, ALDH1A1, ADH1C GABRA1 1284/4885GABRB2 1717/4885TSHR 3391/4885

“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.