SCHEMBL44080

SCHEMBL44080

O=C1C2C3C=CC(O3)C2C(=O)N1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.52
ALDH1A1 P00352 16/20 0.50
TDP1 Q9NUW8 2/20 0.50
HPGD P15428 3/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
PKM P14618 4/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.39
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL44079 1.00 ATM (0.52) ATMALDH1A1TDP1HPGDMAPT
SCHEMBL18912900 1.00 ATM (0.52) ATMALDH1A1TDP1HPGDMAPT
SCHEMBL13239540 0.76 ATM (0.52) ATMALDH1A1TDP1HPGDMAPT
SCHEMBL14536984 0.76 ATM (0.52) ATMALDH1A1TDP1HPGDMAPT
SCHEMBL14527535 0.76 ATM (0.52) ATMALDH1A1TDP1HPGDMAPT
SCHEMBL84627 0.76 ATM (0.52) ATMALDH1A1TDP1HPGDMAPT
SCHEMBL13239561 0.76 ATM (0.52) ATMALDH1A1TDP1HPGDMAPT
SCHEMBL3110024 0.76 ATM (0.52) ATMALDH1A1TDP1HPGDMAPT
SCHEMBL22698795 0.76 ATM (0.52) ATMALDH1A1TDP1HPGDMAPT
SCHEMBL13135478 0.74 ALDH1A1 (0.51) ATMALDH1A1TDP1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805043-A Preparation method and system of cyclopentanone 中国石油化工股份有限公司 2022-07-29 CN claimed
CN-114805042-A Method and system for preparing cyclopentanone and application thereof 中国石油化工股份有限公司 2022-07-29 CN claimed
WO-1995025090-A1 CYCLIC N-ALKENYLOXYIMIDES AND A METHOD FOR THE PREPARATION OF CYCLIC N-ALKENYLOXYIMIDES, THE CORRESPONDING CYCLIC N-ALKOXYIMIDES AND O-ALKOXYAMINES DSM N.V. (NL) 1995-09-21 WO claimed
US-20250032408-A1 REACTIVE POLYMERS AND HYDROGELS FORMED FROM THE SAME BOSTON SCIENTIFIC SCIMED, INC. (US) 2025-01-30 US disclosed
WO-2025024446-A1 REACTIVE POLYMERS AND HYDROGELS FORMED FROM THE SAME BOSTON SCIENTIFIC SCIMED, INC. (US) 2025-01-30 WO disclosed
EP-4361198-A1 POLY(ETHYLENE GLYCOL) HAVING C2-ALKYLOXYMETHYL SIDE CHAINS, C3-ALKYLOXYMETHYL SIDE CHAINS OR BOTH, BIOCONJUGATES THEREOF, PROCESS FOR ITS PREPARATION AND ITS USE Johannes Gutenberg-Universität Mainz (DE) 2024-05-01 EP disclosed
CN-114805042-A Method and system for preparing cyclopentanone and application thereof 中国石油化工股份有限公司 2022-07-29 CN disclosed
CN-114805043-A Preparation method and system of cyclopentanone 中国石油化工股份有限公司 2022-07-29 CN disclosed
CN-114057620-A Method and system for preparing hydrogen peroxide cyclopentylbenzene by cyclopentene 中国石油化工股份有限公司 2022-02-18 CN disclosed
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
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
US-5919790-A ANTIINFLAMMATORY AGENT; THERAPY FOR STROKE, SEPTIC SHOCK;ALZHEIMER*S DISEASE WARNER-LAMBERT COMPANY (US) 1999-07-06 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 (3 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-11213804-B2 Dehydrogenation catalysts and methods of making and using the same IDH2, ADH4, IDH1 ATM 3952/4885ALDH1A1 245/4885TDP1 2517/4885
US-20030083527-A1 Method for producing aromatic alcohols, especially phenol CYP2E1, AOC2, ADH1C ATM 2734/4885ALDH1A1 330/4885TDP1 3114/4885
US-20250032408-A1 REACTIVE POLYMERS AND HYDROGELS FORMED FROM THE SAME CD44, LCP1, PLOD1 ATM 803/4885ALDH1A1 507/4885TDP1 388/4885

“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.