SCHEMBL4624079

SCHEMBL4624079

COC(OC)C(O)c1cc(C)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.43
TP53 P04637 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
LMNA P02545 3/20 0.41
CHRM1 P11229 3/20 0.41
ADRA1A P35348 2/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2B P41595 1/20 0.41
ALOX15 P16050 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 3/20 0.38
HPGD P15428 3/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 2/20 0.38
ALOX12 P18054 1/20 0.38
CHRM2 P08172 2/20 0.37
CHRM5 P08912 2/20 0.37
CHRM3 P20309 2/20 0.37

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
SCHEMBL4625455 0.80 MEN1 (0.47) TP53TDP1LMNAALOX15HSD17B10
SCHEMBL4627227 0.79 ALDH1A1 (0.50) TDP1LMNAALOX15HSD17B10ALDH1A1
SCHEMBL28276798 0.79 TRPA1 (0.48) TRPA1TP53TDP1LMNACHRM1
SCHEMBL27562673 0.76 TRPA1 (0.54) TRPA1TP53TDP1LMNACHRM1
SCHEMBL30631004 0.76 TRPA1 (0.54) TRPA1TP53TDP1LMNACHRM1
SCHEMBL218020 0.76 TRPA1 (0.54) TRPA1TP53TDP1LMNACHRM1
SCHEMBL27985162 0.76 ALDH1A1 (0.45) TRPA1TP53TDP1LMNACHRM1
SCHEMBL4624282 0.75 GABRA1 (0.50) TP53TDP1LMNASLC6A2HTR2B
SCHEMBL7758863 0.74 LMNA (0.54) TRPA1TP53TDP1LMNACHRM1
SCHEMBL13257345 0.73 TRPA1 (0.56) TRPA1TP53TDP1LMNACHRM1

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 8 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
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 (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-20010016664-A1 New phenolic compounds derived from dialkoxyethanals, their preparation process and their application CYC1, CCNY, MT-CO1 TRPA1 3833/4885TP53 1072/4885TDP1 936/4885

“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.