SCHEMBL1743529

SCHEMBL1743529

Cc1cc(C)c2c(c1)C(=O)C(=O)N2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 7/20 0.67
ALDH1A1 P00352 1/20 0.67
ALDH2 P05091 1/20 0.67
ALDH3A1 P30838 1/20 0.67
DAO P14920 2/20 0.55
TGM2 P21980 1/20 0.46
DNMT1 P26358 1/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA4 P22748 2/20 0.45
CA7 P43166 2/20 0.45
BCHE P06276 2/20 0.43
MAPT P10636 2/20 0.43
NTSR1 P30989 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 1/20 0.42
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
POLB P06746 1/20 0.39
RAPGEF4 Q8WZA2 1/20 0.38

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
SCHEMBL29502897 1.00 CES1 (0.67) CES1ALDH1A1ALDH2ALDH3A1DAO
SCHEMBL30762476 0.80 ALDH1A1 (1.00) CES1ALDH1A1ALDH2ALDH3A1DAO
SCHEMBL3093670 0.80 TGM2 (0.67) CES1ALDH1A1ALDH2ALDH3A1DAO
SCHEMBL10679123 0.80 ALDH1A1 (1.00) CES1ALDH1A1ALDH2ALDH3A1DAO
SCHEMBL3737904 0.80 CES1 (0.62) CES1ALDH1A1ALDH2ALDH3A1DAO
SCHEMBL1274994 0.80 CES1 (1.00) CES1ALDH1A1ALDH2ALDH3A1DAO
SCHEMBL3737886 0.80 TGM2 (0.67) CES1ALDH1A1ALDH2ALDH3A1DAO
SCHEMBL29451126 0.80 CES1 (1.00) CES1ALDH1A1ALDH2ALDH3A1DAO
SCHEMBL18702831 0.79 CES1 (0.61) CES1ALDH1A1ALDH2ALDH3A1DAO
SCHEMBL3088899 0.77 CES1 (0.59) CES1ALDH1A1ALDH2ALDH3A1DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070130702-A1 Dyeing process using a specific compound containing active methylene and a compound chosen from a specific aldehyde, a specific ketone, a quinone and a diiminoisoindoline or 3-aminoisoindolone derivative L'OREAL S.A. 2007-06-14 US claimed
US-7204857-B1 Dyeing method using a specific active methylene compound and a compound selected among a specific aldehyde, a specific ketone, a quinone and a di-imino-isoindoline or 3-amino-isoindolone derivative L'OREAL S.A. (FR) 2007-04-17 US claimed
US-6635090-B1 Dyeing method using a specific cationic derivative and a compound selected among a specific aldehyde, a specific ketone, a quinone and a di-imino-isoindoline or 3-amino-isoindolone derivative L'OREAL, S.A. (FR) 2003-10-21 US claimed
US-6458168-B1 Hair dyeing method using an aliphatic cationic amine and compound chosen from an aldehyde, a ketone, a quinone, a di-imino-isoindoline, and a 3-aminoisoindolone derivative L'OREAL S.A. (FR) 2002-10-01 US claimed
US-6451067-B1 HAIR DYE MIXTURE L'OREAL S.A. (FR) 2002-09-17 US claimed
US-6114540-A COMBINATORIAL LIBRARIES ARQULE, INC. (US) 2000-09-05 US claimed
US-12322757-B2 Isatin derivative redoxamer for electrochemical device UCHICAGO ARGONNE, LLC (US) 2025-06-03 US disclosed
CN-114890947-B Aromatic heterocyclic compound containing quinoline structural unit, and preparation method and application thereof 郑州大学 2024-07-16 CN disclosed
CN-117700407-A 3, 3-disubstituted indol-2-one compound and preparation method and application thereof 五邑大学 2024-03-15 CN disclosed
US-20230327205-A1 ISATIN DERIVATIVE REDOXAMER FOR ELECTROCHEMICAL DEVICE UCHICAGO ARGONNE, LLC. (US) 2023-10-12 US disclosed
US-20230327205-A1 ISATIN DERIVATIVE REDOXAMER FOR ELECTROCHEMICAL DEVICE UCHICAGO ARGONNE, LLC. (US) 2023-10-12 US disclosed
US-20230327205-A1 ISATIN DERIVATIVE REDOXAMER FOR ELECTROCHEMICAL DEVICE UCHICAGO ARGONNE, LLC. (US) 2023-10-12 US disclosed
US-11715844-B2 Isatin derivative redoxmer for electrochemical device UCHICAGO ARGONNE, LLC (US) 2023-08-01 US disclosed
WO-1999012904-A1 SPIRO[PYRROLIDINE-2,3'-OXINDOLE] COMPOUNDS AND METHODS OF USE ARQULE, INC. (US) 1999-03-18 WO disclosed
US-5866396-A REMOVAL OF BY-PRODUCTS USING ENZYMES WEYLER WALTER (US) 1999-02-02 US disclosed
CN-1202933-A Improved microbial production of indigo GENENCOR INT (US) 1998-12-23 CN disclosed
WO-1998013474-A1 MICROORGANISMS WITH ABILITY TO DEGRADE INDOLE AND ENZYMES THEREFROM GENENCOR INTERNATIONAL, INC. (US) 1998-04-02 WO disclosed
WO-1997019175-A1 IMPROVED MICROBIAL PRODUCTION OF INDIGO GENENCOR INTERNATIONAL, INC. (US) 1997-05-29 WO disclosed
US-4267333-A Preparation of 2-trifluoromethyl cinchoninic acids UNION CARBIDE AGRICULTURAL PRODUCTS COMPANY, INC. (US) 1981-05-12 US disclosed
US-4251661-A Preparation of 2-trifluoromethyl cinchoninic acids UNION CARBIDE CORPORATION (US) 1981-02-17 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 (4 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-20070130702-A1 Dyeing process using a specific compound containing active methylene and a compound chosen from a specific aldehyde, a specific ketone, a quinone and a diiminoisoindoline or 3-aminoisoindolone derivative KRT18, NDUFB5, NDUFB7 CES1 3158/4885ALDH1A1 83/4885ALDH2 110/4885
US-20230327205-A1 ISATIN DERIVATIVE REDOXAMER FOR ELECTROCHEMICAL DEVICE NDUFS5, SQOR, NDUFS7 CES1 4583/4885ALDH1A1 1221/4885ALDH2 163/4885
US-12322757-B2 Isatin derivative redoxamer for electrochemical device NDUFS5, SQOR, NDUFS7 CES1 4583/4885ALDH1A1 1221/4885ALDH2 163/4885
US-11715844-B2 Isatin derivative redoxmer for electrochemical device SQOR, SLC39A14, NDUFS5 CES1 4335/4885ALDH1A1 630/4885ALDH2 103/4885

“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.