SCHEMBL3637463

SCHEMBL3637463

COc1c(O)cc(C=O)cc1C=O

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
ALDH1A1 P00352 3/20 0.50
AOX1 Q06278 1/20 0.50
ERN1 O75460 8/20 0.46
TDP1 Q9NUW8 3/20 0.46
TRIM24 O15164 2/20 0.46
TRIM33 Q9UPN9 2/20 0.46
TYR P14679 1/20 0.46
HPGD P15428 1/20 0.46
ALDH5A1 P51649 1/20 0.46
ABAT P80404 1/20 0.46
KDM4E B2RXH2 2/20 0.41
PTGS2 P35354 1/20 0.41
RAB9A P51151 1/20 0.41
TSHR P16473 1/20 0.39

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
SCHEMBL8679779 0.89 ERN1 (0.59) ALDH1A1AOX1ERN1TDP1TRIM24
SCHEMBL5155052 0.88 ALDH1A1 (0.57) CA1CA2ALDH1A1AOX1ERN1
SCHEMBL6291227 0.81 SRC (0.53) CA1CA2ALDH1A1AOX1ERN1
SCHEMBL1050289 0.81 ALDH1A1 (0.59) ALDH1A1AOX1ERN1TDP1TRIM24
SCHEMBL29361496 0.81 ALDH1A1 (0.59) ALDH1A1AOX1ERN1TDP1TRIM24
SCHEMBL4615908 0.81 ERN1 (0.59) CA1CA2ALDH1A1ERN1TDP1
SCHEMBL28064053 0.81 ERN1 (0.58) CA1CA2ALDH1A1ERN1TDP1
SCHEMBL1159670 0.79 TUBB1 (0.49) CA1CA2ALDH1A1AOX1TDP1
SCHEMBL2807788 0.79 TPMT (0.54) CA1CA2ALDH1A1AOX1ERN1
SCHEMBL2808932 0.79 TPMT (0.54) CA1CA2ALDH1A1AOX1ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946482-B1 METHOD FOR PREPARING A 4-HYDROXYBENZALDEHYDE AND DERIVATIVES RHODIA CHIMIE SA (FR) 2002-07-24 EP 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-0773919-B1 METHOD FOR PREPARING 3-CARBOXY-4-HYDROXYBENZALDEHYDES AND DERIVATIVES THEREOF RHODIA CHIMIE SA (FR) 2000-09-20 EP claimed
EP-0946482-A1 METHOD FOR PREPARING A 4-HYDROXYBENZALDEHYDE AND DERIVATIVES RHODIA CHIMIE (FR) 1999-10-06 EP claimed
US-5783737-A Process for the preparation of 3-carboxy-4-hydroxybenzaldehides and derivatives thereof RHONE-POULENC CHIMIE (FR) 1998-07-21 US claimed
WO-1998022419-A1 METHOD FOR PREPARING A 4-HYDROXYBENZALDEHYDE AND DERIVATIVES RHODIA CHIMIE (FR) 1998-05-28 WO claimed
EP-0773919-A1 METHOD FOR PREPARING 3-CARBOXY-4-HYDROXYBENZALDEHYDES AND DERIVATIVES THEREOF RHONE-POULENC CHIMIE (FR) 1997-05-21 EP claimed
WO-1996037454-A1 METHOD FOR PREPARING 3-CARBOXY-4-HYDROXYBENZALDEHYDES AND DERIVATIVES THEREOF RHONE-POULENC CHIMIE (FR) 1996-11-28 WO claimed
EP-0044260-B1 PROCESS FOR THE PREPARATION OF POLYPHENOLS OPTIONALLY SUBSTITUTED BY AN ALDEHYDE GROUP RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-04-11 EP claimed
US-4435601-A OXIDATION WITH HYDROGEN PEROXIDE IN ALKALI OR ALKALINE METAL BASE RHONE-POULENC INDUSTRIES (FR) 1984-03-06 US claimed
US-9981901-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2018-05-29 US disclosed
US-20170152206-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2017-06-01 US disclosed
US-9546149-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2017-01-17 US disclosed
CN-103450077-B IRE-1 alpha inhibitor 满康德股份有限公司 2016-07-06 CN disclosed
US-20160168116-A1 IRE-1alpha Inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2016-06-16 US disclosed
US-5783737-A Process for the preparation of 3-carboxy-4-hydroxybenzaldehides and derivatives thereof RHONE-POULENC CHIMIE (FR) 1998-07-21 US disclosed
WO-1998022419-A1 METHOD FOR PREPARING A 4-HYDROXYBENZALDEHYDE AND DERIVATIVES RHODIA CHIMIE (FR) 1998-05-28 WO disclosed
EP-0773919-A1 METHOD FOR PREPARING 3-CARBOXY-4-HYDROXYBENZALDEHYDES AND DERIVATIVES THEREOF RHONE-POULENC CHIMIE (FR) 1997-05-21 EP disclosed
WO-1996037454-A1 METHOD FOR PREPARING 3-CARBOXY-4-HYDROXYBENZALDEHYDES AND DERIVATIVES THEREOF RHONE-POULENC CHIMIE (FR) 1996-11-28 WO disclosed
US-4435601-A OXIDATION WITH HYDROGEN PEROXIDE IN ALKALI OR ALKALINE METAL BASE RHONE-POULENC INDUSTRIES (FR) 1984-03-06 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 (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-20170152206-A1 IRE-1alpha INHIBITORS XBP1, DDIT3, ERN1 CA1 3793/4885CA2 3345/4885ALDH1A1 2586/4885
US-20160168116-A1 IRE-1alpha Inhibitors XBP1, DDIT3, ERN1 CA1 3793/4885CA2 3345/4885ALDH1A1 2586/4885

“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.