SCHEMBL44531

SCHEMBL44531

O=C1C(O)C(O)C(=O)N1O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ENO1 P06733 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
MAPT P10636 1/20 0.31
APEX1 P27695 1/20 0.31

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
SCHEMBL10565064 1.00 TDP1 (0.40) TDP1ALDH1A1MEN1KMT2AENO1
SCHEMBL10565073 1.00 TDP1 (0.40) TDP1ALDH1A1MEN1KMT2AENO1
SCHEMBL3823746 0.74 ALDH1A1 (0.55) TDP1ALDH1A1CYP3A4TSHRMAPT
SCHEMBL4755963 0.69 MEN1 (0.34) ALDH1A1MEN1KMT2AMAPT
SCHEMBL1773222 0.69 MEN1 (0.34) ALDH1A1MEN1KMT2AMAPT
SCHEMBL1773641 0.69 MEN1 (0.34) ALDH1A1MEN1KMT2AMAPT
SCHEMBL22895257 0.69 ALDH1A1 (0.39) TDP1ALDH1A1
SCHEMBL110450 0.69 ALDH1A1 (0.39) TDP1ALDH1A1
SCHEMBL18072219 0.63 POLB (0.41) TDP1ALDH1A1KMT2AENO1CYP3A4
SCHEMBL11315663 0.63 ENO1 (0.31) TDP1ALDH1A1ENO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11213804-B2 Dehydrogenation catalysts and methods of making and using the same EXXONMOBIL CHEMICAL PATENTS INC. (US) 2022-01-04 US disclosed
EP-3327003-B1 PROCESS FOR CONCENTRATING A MIXTURE CONTAINING ORGANIC HYDROPEROXIDE EXXONMOBIL CHEMICAL PATENTS INC (US) 2020-09-16 EP disclosed
EP-3180304-B1 PROCESS FOR PRODUCING CYCLOHEXANONE EXXONMOBIL CHEMICAL PATENTS INC (US) 2019-10-30 EP disclosed
US-20190283002-A1 Dehydrogenation Catalysts and Methods of Making and Using the Same EXXONMOBIL CHEMICAL PATENTS INC. 2019-09-19 US disclosed
EP-3013779-B1 PROCESS FOR PRODUCING PHENOL AND/OR CYCLOHEXANONE EXXONMOBIL CHEMICAL PATENTS INC (US) 2019-07-31 EP disclosed
EP-3013795-B1 PROCESS FOR CONCENTRATING A MIXTURE CONTAINING ORGANIC HYDROPEROXIDE EXXONMOBIL CHEMICAL PATENTS INC (US) 2019-07-24 EP disclosed
US-10351506-B2 Purified plasticizers, production and use EXXONMOBIL CHEMICAL PATENTS INC. (US) 2019-07-16 US disclosed
US-20190176131-A1 Methods of Making Supported Mixed Metal Dehydrogenation Catalysts EXXONMOBIL CHEMICAL PATENTS INC. 2019-06-13 US disclosed
US-10286334-B2 Process for removing water and/or oxygen from organic liquid EXXONMOBIL CHEMICAL PATENTS INC. (US) 2019-05-14 US disclosed
EP-2847151-B1 HYDROGENATION PROCESS USING EGGSHELL CATALYSTS FOR THE REMOVAL OF OLEFINS EXXONMOBIL CHEMICAL PATENTS INC (US) 2019-04-03 EP disclosed
US-6720462-B2 VIA CATALYTIC OXIDATION OF AROMATIC HYDROCARBON TO HYDROPEROXIDE WHICH IS CLEAVED TO FORM PHENOL DERVIVATIVE AND KETONE DEGUSSA AG (DE) 2004-04-13 US disclosed
US-20030176733-A1 Method for oxidizing hydrocarbons CREAVIS GESELLSCHAFT FUER TECHNOLOGIE UND INNOVATION MBH (DE) 2003-09-18 US disclosed
US-20030083527-A1 Method for producing aromatic alcohols, especially phenol CREAVIS GESELLSCHAFT FUER TECHNOLOGY UND INNOVATION MBH (DE) 2003-05-01 US disclosed
US-6316639-B1 REACTING DICARBOXYLIC ACIDS OR ANHYDRIDES WITH A SALT OF HYDROXYL-AMINE IN SOLUTION SELECTED FROM HYDROXYLAMINE SULFATE, HYDROXYLAMINE NITRATE, HYDROXYLAMINE ACETATE, HYDROXYLAMINE TETRAFLUOROBORATE, HYDROXYLAMINE PHOSPHATE Consortium für elektrochemische Industrie GmbH (DE) 2001-11-13 US disclosed
US-6297403-B1 OXIDATION OF A (DI)ARYL METHANE OR METHYLENE DERIVATIVE IN PRESENCE OF AN AMINE OXIDE OR HYDROXYAMINE DERIVATIVE MEDIATOR; BY-PRODUCT INHIBITION Consortium für elektrochemische Industrie GmbH (DE) 2001-10-02 US disclosed
US-6242245-B1 DELIGNIFICATION BY ADDING SUSPENSION OF LACCASE, OXIDANT, MEDIATOR SUCH AS VIOLURIC ACID, AND XYLANASE TO AQUEOUS SUSPENSION OF LIGNIN MATERIAL AND MIXING; MEDIATOR DOES NOT DEACTIVATE ENZYME Consortium für elektrochemische Industrie GmbH (DE) 2001-06-05 US disclosed
US-6187170-B1 SYSTEM FOR THE ELECTROCHEMICAL CLEAVAGE OF COMPOUNDS WHICH INCLUDES A MEDIATOR AND AT LEAST TWO ELECTRODES FOR THE ELECTROCHEMICAL ACTIVATION OF THE MEDIATOR Consortium für elektrochemische Industrie GmbH (DE) 2001-02-13 US disclosed
US-6169213-B1 REACTING A HETEROARYL METHANOL WITH AN OXIDANT AND A MEDIATOR CONTAINING AMINO OXIDE GROUP TO FORM HETEROARYL ALDEHYDE OR A HETEROARYL KETONE Consortium f{umlaut over (u)}r elektrochemische Industrie GmbH (DE) 2001-01-02 US disclosed
US-6069282-A REACTION OF VINYL-, ALKYNYL- OR ARYL-METHANOLS WITH THE AID OF A MEDIATOR AND AN OXIDANT, WHEREIN THE MEDIATOR IS SELECTED FROM THE GROUP OF THE ALIPHATIC, CYCLOALIPHATIC, HETEROCYCLIC OR AROMATIC NO OR NOH CONTAINING COMPOUNDS CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 2000-05-30 US disclosed
US-6023000-A Process for the preparation of aldehydes and ketones Consortium fur elektrochemisch Industrie GmbH (DE) 2000-02-08 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 (7 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-20030176733-A1 Method for oxidizing hydrocarbons CBR1, CBR3, SCO2 TDP1 3717/4885ALDH1A1 891/4885MEN1 2618/4885
US-11213804-B2 Dehydrogenation catalysts and methods of making and using the same IDH2, ADH4, IDH1 TDP1 2517/4885ALDH1A1 245/4885MEN1 2176/4885
US-10351506-B2 Purified plasticizers, production and use ALKBH3, FTO, ALK TDP1 1496/4885ALDH1A1 142/4885MEN1 3330/4885
US-10286334-B2 Process for removing water and/or oxygen from organic liquid SORD, DUOX2, DCXR TDP1 3593/4885ALDH1A1 3024/4885MEN1 4881/4885
US-20030083527-A1 Method for producing aromatic alcohols, especially phenol CYP2E1, AOC2, ADH1C TDP1 3114/4885ALDH1A1 330/4885MEN1 3385/4885
US-20190176131-A1 Methods of Making Supported Mixed Metal Dehydrogenation Catalysts SOD1, DNMT1, CA1 TDP1 3912/4885ALDH1A1 594/4885MEN1 1599/4885
US-20190283002-A1 Dehydrogenation Catalysts and Methods of Making and Using the Same IDH2, ADH4, IDH1 TDP1 2517/4885ALDH1A1 245/4885MEN1 2176/4885

“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.