SCHEMBL1836069

SCHEMBL1836069

COc1ccccc1OCO

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.62
CA2 P00918 2/20 0.62
CA12 O43570 1/20 0.62
CA4 P22748 1/20 0.62
CA7 P43166 1/20 0.62
CA9 Q16790 1/20 0.62
CA14 Q9ULX7 1/20 0.62
LMNA P02545 3/20 0.60
AGTR1 P30556 1/20 0.60
CYP1A2 P05177 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.59
POLB P06746 1/20 0.59
L3MBTL1 Q9Y468 3/20 0.52
TDP1 Q9NUW8 1/20 0.52
HSD17B10 Q99714 2/20 0.52
ALDH1A1 P00352 2/20 0.51
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50

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
SCHEMBL29375647 1.00 CA1 (0.62) CA1CA2CA12CA4CA7
SCHEMBL500049 0.87 LMNA (0.50) CA1CA2CA12CA4CA7
1,2-Dimethoxybenzene SCHEMBL23573009 0.85 CA1 (0.77) CA1CA2CA12CA4CA7
SCHEMBL30960126 0.82 ALDH1A1 (0.62) CA1CA2CA12CA4CA7
SCHEMBL516162 0.82 ALDH1A1 (0.62) CA1CA2CA12CA4CA7
SCHEMBL2096489 0.80 SMN1; SMN2 (0.55) CA1CA2CA12CA4CA7
SCHEMBL5825340 0.80 ALDH1A1 (0.65) CA1CA2CA12CA4CA7
SCHEMBL1592409 0.80 CA12 (0.68) CA1CA2CA12CA4CA7
SCHEMBL11364617 0.80 CA1 (0.68) CA1CA2CA12CA4CA7
SCHEMBL2087971 0.79 SMN1; SMN2 (0.65) CA1CA2CA12CA4CA7

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934244-B1 METHOD FOR SELECTIVE PREPARATION OF A 2-HYDROXYBENZOIC ACID AND A 4-HYDROXYBENZALDEHYDE AND DERIVATIVES RHODIA CHIMIE SA (FR) 2004-12-15 EP claimed
EP-0946482-B1 METHOD FOR PREPARING A 4-HYDROXYBENZALDEHYDE AND DERIVATIVES RHODIA CHIMIE SA (FR) 2002-07-24 EP claimed
US-6245936-B1 MIXING PHENOLIC COMPOUNDS CARRYING FORMYL OR HYDROXYMETHYL GROUP, ONE IN 2 POSITION AND ONE IN 4 POSITION, SELECTIVELY OXIDIZING GROUP IN 2 POSITION TO CARBOXY GROUP, HYDROXYMETHYL GROUP IN 4 POSITION TO FORMYL GROUP, RECOVERING MIXTURE RHODIA CHIMIE (FR) 2001-06-12 US claimed
US-6184421-B1 SELECTIVE OXIDATION, TO A CARBOXY GROUP, OF THE GROUP IN THE 2 POSITION WITH RESPECT TO THE HYDROXYL GROUPS OF A MIXTURE OF PHENOLS HAVING FORMYL AND/OR HYDROXYMETHYL GROUPS IN POSITIONS 2 OR 4; PREPARING VANILLIN AND ETHYL VANILLIN RHODIA CHIMIE (FR) 2001-02-06 US claimed
EP-0946482-A1 METHOD FOR PREPARING A 4-HYDROXYBENZALDEHYDE AND DERIVATIVES RHODIA CHIMIE (FR) 1999-10-06 EP claimed
WO-1998022419-A1 METHOD FOR PREPARING A 4-HYDROXYBENZALDEHYDE AND DERIVATIVES RHODIA CHIMIE (FR) 1998-05-28 WO claimed
US-9018421-B2 Separation of aromatic aldehydes RHODIA OPERATIONS (FR) 2015-04-28 US disclosed
CN-101678333-B Process for preparing a hydroxyaromatic aldehyde RHODIA OPERATIONS 2014-01-01 CN disclosed
US-8431750-B2 Preparation of hydroxyaromatic aldehydes RHODIA OPERATIONS (FR) 2013-04-30 US disclosed
US-20120103786-A1 SEPARATION OF AROMATIC ALDEHYDES GE INFRASTRUCTURE SENSING INC 2012-05-03 US disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
US-20110306802-A1 PREPARATION OF HYDROXYAROMATIC ALDEHYDES SPECIALTY OPERATIONS FRANCE (FR) 2011-12-15 US disclosed
EP-2321247-A1 METHOD FOR SEPARATING AROMATIC ALDEHYDE Rhodia Opérations (FR) 2011-05-18 EP disclosed
EP-0946482-B1 METHOD FOR PREPARING A 4-HYDROXYBENZALDEHYDE AND DERIVATIVES RHODIA CHIMIE SA (FR) 2002-07-24 EP disclosed
US-6245936-B1 MIXING PHENOLIC COMPOUNDS CARRYING FORMYL OR HYDROXYMETHYL GROUP, ONE IN 2 POSITION AND ONE IN 4 POSITION, SELECTIVELY OXIDIZING GROUP IN 2 POSITION TO CARBOXY GROUP, HYDROXYMETHYL GROUP IN 4 POSITION TO FORMYL GROUP, RECOVERING MIXTURE RHODIA CHIMIE (FR) 2001-06-12 US disclosed
US-6184421-B1 SELECTIVE OXIDATION, TO A CARBOXY GROUP, OF THE GROUP IN THE 2 POSITION WITH RESPECT TO THE HYDROXYL GROUPS OF A MIXTURE OF PHENOLS HAVING FORMYL AND/OR HYDROXYMETHYL GROUPS IN POSITIONS 2 OR 4; PREPARING VANILLIN AND ETHYL VANILLIN RHODIA CHIMIE (FR) 2001-02-06 US disclosed
EP-0946482-A1 METHOD FOR PREPARING A 4-HYDROXYBENZALDEHYDE AND DERIVATIVES RHODIA CHIMIE (FR) 1999-10-06 EP disclosed
EP-0934244-A1 METHOD FOR SELECTIVE PREPARATION OF A 2-HYDROXYBENZOIC ACID AND A 4-HYDROXYBENZALDEHYDE AND DERIVATIVES RHODIA CHIMIE (FR) 1999-08-11 EP disclosed
WO-1998022419-A1 METHOD FOR PREPARING A 4-HYDROXYBENZALDEHYDE AND DERIVATIVES RHODIA CHIMIE (FR) 1998-05-28 WO disclosed
WO-1998016493-A1 METHOD FOR SELECTIVE PREPARATION OF A 2-HYDROXYBENZOIC ACID AND A 4-HYDROXYBENZALDEHYDE AND DERIVATIVES RHODIA CHIMIE (FR) 1998-04-23 WO 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 (2 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-20120103786-A1 SEPARATION OF AROMATIC ALDEHYDES ADH5, ALDH2, TARBP1 CA1 2996/4885CA2 3793/4885CA12 2632/4885
US-20110306802-A1 PREPARATION OF HYDROXYAROMATIC ALDEHYDES AOX1, ALDH2, ALDH1A1 CA1 681/4885CA2 1027/4885CA12 1164/4885

“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.