SCHEMBL975113

SCHEMBL975113

CC(C)COc1cc(C=O)ccc1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.69
HPGD P15428 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
TRIM24 O15164 1/20 0.60
ALDH5A1 P51649 1/20 0.60
ABAT P80404 1/20 0.60
TRIM33 Q9UPN9 1/20 0.60
AOX1 Q06278 1/20 0.47
KDM4E B2RXH2 2/20 0.47
PTGS2 P35354 2/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TOP2A P11388 2/20 0.46
FDPS P14324 1/20 0.45
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
TSHR P16473 3/20 0.43
XDH P47989 1/20 0.43

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
SCHEMBL4288561 0.87 ALDH1A1 (0.60) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Ethyl Vanillin SCHEMBL29351334 0.81 ALDH1A1 (1.00) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Ethyl Vanillin SCHEMBL719058 0.81 ALDH1A1 (1.00) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Ethyl Vanillin SCHEMBL30247 0.81 ALDH1A1 (1.00) ALDH1A1HPGDTDP1TRIM24ALDH5A1
SCHEMBL1121580 0.81 ALDH1A1 (0.66) ALDH1A1HPGDTDP1TRIM24ALDH5A1
SCHEMBL7034558 0.81 FDPS (0.71) ALDH1A1HPGDTDP1KDM4ERAB9A
SCHEMBL30262368 0.81 FDPS (0.71) ALDH1A1HPGDTDP1KDM4ERAB9A
SCHEMBL31009650 0.81 ALDH1A1 (0.66) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Ethyl Vanillin SCHEMBL30402049 0.80 ALDH1A1 (0.97) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Ethyl Vanillin SCHEMBL5277489 0.80 ALDH1A1 (0.97) ALDH1A1HPGDTDP1TRIM24ALDH5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1087924-B1 METHOD FOR PREPARING P-HYDROXYMANDELIC COMPOUNDS OPTIONALLY SUBSTITUTED RHODIA CHIMIE SA (FR) 2004-02-25 EP claimed
EP-0709361-B1 Process for the preparation of isovanilline RHODIA CHIMIE SA (FR) 1999-02-03 EP claimed
US-5786516-A Process for the preparation of isovanillin RHONE-POULENC CHIMIE (FR) 1998-07-28 US claimed
US-5648552-A Process for the preparation of isovanillin RHONE-POULENC CHIMIE (FR) 1997-07-15 US claimed
EP-0709361-A1 Process for the preparation of isovanilline RHONE-POULENC CHIMIE (FR) 1996-05-01 EP claimed
US-20170183283-A1 METHOD FOR PREPARING P-HYDROXYMANDELIC COMPOUNDS IN STIRRED REACTORS RHODIA OPERATIONS (FR) 2017-06-29 US disclosed
US-9403745-B2 Method for separating salified phenolic compounds RHODIA OPERATIONS (FR) 2016-08-02 US disclosed
US-20150274625-A1 METHOD FOR SEPARATING SALIFIED PHENOLIC COMPOUNDS SPECIALTY OPERATIONS FRANCE (FR) 2015-10-01 US disclosed
US-9079842-B2 Method for separating salified phenolic compounds RHODIA OPERATIONS (FR) 2015-07-14 US disclosed
US-9006496-B2 Method of separating phenolic compounds in salified form RHODIA OPERATIONS (FR) 2015-04-14 US disclosed
US-8759573-B2 Method for preparing optionally substituted p-hydroxymandelic compounds and derivatives thereof RHODIA OPERATIONS (FR) 2014-06-24 US disclosed
US-20120264982-A1 METHOD FOR SEPARATING SALIFIED PHENOLIC COMPOUNDS RHODIA OPERATIONS (FR) 2012-10-18 US disclosed
US-20110230674-A1 METHOD OF SEPARATING PHENOLIC COMPOUNDS IN SALIFIED FORM RHODIA OPERATIONS (FR) 2011-09-22 US disclosed
US-20110009664-A1 METHOD FOR PREPARING OPTIONALLY SUBSTITUTED P-HYDROXYMANDELIC COMPOUNDS AND DERIVATIVES THEREOF Rhodia Pperations (FR) 2011-01-13 US disclosed
US-6753441-B1 CONDENSING, IN WATER AND BASE, HYDROXYLATED AROMATIC COMPOUND WITH GLYOXYLIC ACID USING POLYCARBOXYLIC ACID CATALYST RHODIA CHIMIE (FR) 2004-06-22 US disclosed
EP-0709361-B1 Process for the preparation of isovanilline RHODIA CHIMIE SA (FR) 1999-02-03 EP disclosed
US-5786516-A Process for the preparation of isovanillin RHONE-POULENC CHIMIE (FR) 1998-07-28 US disclosed
US-5648552-A Process for the preparation of isovanillin RHONE-POULENC CHIMIE (FR) 1997-07-15 US disclosed
EP-0709361-A1 Process for the preparation of isovanilline RHONE-POULENC CHIMIE (FR) 1996-05-01 EP disclosed
US-5430183-A Para-hydroxyalkylation of hydroxylated aromatic compounds RHONE-POULENC CHIMIE (FR) 1995-07-04 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 (5 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-20170183283-A1 METHOD FOR PREPARING P-HYDROXYMANDELIC COMPOUNDS IN STIRRED REACTORS COMT, PAH, HPD ALDH1A1 245/4885HPGD 145/4885TDP1 1937/4885
US-20150274625-A1 METHOD FOR SEPARATING SALIFIED PHENOLIC COMPOUNDS COMT, GRHPR, ME1 ALDH1A1 776/4885HPGD 315/4885TDP1 2750/4885
US-20110009664-A1 METHOD FOR PREPARING OPTIONALLY SUBSTITUTED P-HYDROXYMANDELIC COMPOUNDS AND DERIVATIVES THEREOF HPD, COMT, PAH ALDH1A1 1106/4885HPGD 86/4885TDP1 1578/4885
US-20110230674-A1 METHOD OF SEPARATING PHENOLIC COMPOUNDS IN SALIFIED FORM REN, GRHPR, COMT ALDH1A1 658/4885HPGD 742/4885TDP1 3131/4885
US-20120264982-A1 METHOD FOR SEPARATING SALIFIED PHENOLIC COMPOUNDS COMT, GRHPR, ME1 ALDH1A1 776/4885HPGD 315/4885TDP1 2750/4885

“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.