SCHEMBL226605

SCHEMBL226605

CN(O)C(=O)c1ccco1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.56
CES1 P23141 1/20 0.56
PTPN1 P18031 1/20 0.50
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KMT2A Q03164 5/20 0.48
POLB P06746 4/20 0.48
MEN1 O00255 3/20 0.48
ALDH1A1 P00352 1/20 0.48
THRB P10828 1/20 0.48
APEX1 P27695 1/20 0.48
RECQL P46063 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
GFER P55789 1/20 0.48
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
PKM P14618 2/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.44

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
SCHEMBL743549 0.85 CES2 (0.58) CES2CES1PTPN1HTTNPSR1
SCHEMBL5201425 0.82 CES2 (0.54) CES2CES1PTPN1HTTNPSR1
SCHEMBL10724442 0.80 RAB9A (0.53) CES2CES1PTPN1HTTNPSR1
SCHEMBL1106996 0.79 CES2 (0.50) CES2CES1PTPN1HTTNPSR1
SCHEMBL3280601 0.79 CES2 (0.50) CES2CES1PTPN1HTTNPSR1
SCHEMBL2306849 0.79 CES2 (0.55) CES2CES1PTPN1HTTNPSR1
SCHEMBL11465943 0.79 CES2 (0.50) CES2CES1PTPN1HTTNPSR1
SCHEMBL3279885 0.79 CES2 (0.50) CES2CES1PTPN1HTTNPSR1
Hydrochloric Acid SCHEMBL11684928 0.79 CES2 (0.50) CES2CES1PTPN1HTTNPSR1
SCHEMBL11229550 0.79 CES2 (0.50) CES2CES1PTPN1HTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4663629-A1 FLUORINATED PYRAZOLONE COMPOUND AND METHOD FOR PRODUCING SAME Unimatec Co., Ltd. (JP) 2025-12-17 EP disclosed
US-12496374-B2 Deodorizer composition, absorbing body, and absorbent article SUMITOMO SEIKA CHEMICALS CO, LTD. (JP) 2025-12-16 US disclosed
WO-2024166973-A1 FLUORINATED PYRAZOLONE COMPOUND AND METHOD FOR PRODUCING SAME ユニマテック株式会社 2024-08-15 WO disclosed
US-20240157018-A1 DEODORIZER COMPOSITION, ABSORBING BODY, AND ABSORBENT ARTICLE SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2024-05-16 US disclosed
US-20230144767-A1 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2023-05-11 US disclosed
US-20230144767-A1 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2023-05-11 US disclosed
US-20230144767-A1 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2023-05-11 US disclosed
EP-4046611-A1 DEODORIZER COMPOSITION, ABSORBING BODY, AND ABSORBENT ARTICLE Sumitomo Seika Chemicals Co., Ltd. (JP) 2022-08-24 EP disclosed
US-20210371460-A1 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2021-12-02 US disclosed
US-20210371460-A1 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2021-12-02 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
EP-0852028-B1 BLACK-AND-WHITE PHOTOTHERMOGRAPHIC AND THERMOGRAPHIC ELEMENTS COMPRISING HYDROXAMIC ACID COMPOUNDS AS CONTRAST ENHANCERS EASTMAN KODAK CO (US) 2000-06-07 EP 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
EP-0852028-A1 BLACK-AND-WHITE PHOTOTHERMOGRAPHIC AND THERMOGRAPHIC ELEMENTS COMPRISING HYDROXAMIC ACID COMPOUNDS AS CONTRAST ENHANCERS Imation Corp. (US) 1998-07-08 EP disclosed
WO-1997011410-A1 BLACK-AND-WHITE PHOTOTHERMOGRAPHIC AND THERMOGRAPHIC ELEMENTS COMPRISING HYDROXAMIC ACID COMPOUNDS AS CONTRAST ENHANCERS IMATION CORP. (US) 1997-03-27 WO disclosed
US-5545507-A ULTRAHIGH CONTRAST, RESOLUTION, SHARPNESS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-08-13 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-20230144767-A1 TARGETED NITROXIDE AGENTS TXNRD2, TXN2, HSPE1 CES2 2450/4885CES1 1712/4885PTPN1 4077/4885
US-20210371460-A1 TARGETED NITROXIDE AGENTS TXNRD2, TXN2, HSPE1 CES2 2450/4885CES1 1712/4885PTPN1 4077/4885

“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.