SCHEMBL135207

SCHEMBL135207

O=C1COCc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.56
MAOB P27338 2/20 0.56
CYP2A6 P11509 1/20 0.54
CES1 P23141 2/20 0.45
BCHE P06276 1/20 0.45
ALDH1A1 P00352 5/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
ACHE P22303 2/20 0.39
KMT2A Q03164 2/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALOX15 P16050 1/20 0.39
KDM4E B2RXH2 4/20 0.38
HPGD P15428 4/20 0.38
CYP1A2 P05177 2/20 0.38
TYMS P04818 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL29452852 1.00 MAOA (0.56) MAOAMAOBCYP2A6CES1BCHE
SCHEMBL18489826 0.98 MAOA (0.54) MAOAMAOBCYP2A6CES1BCHE
SCHEMBL2929766 0.83 MAOA (0.54) MAOAMAOBCYP2A6CES1BCHE
SCHEMBL29676580 0.81 MAOA (0.53) MAOAMAOBCYP2A6CES1BCHE
SCHEMBL28736027 0.81 MAOA (0.53) MAOAMAOBCYP2A6CES1BCHE
SCHEMBL10961988 0.81 MAOA (0.53) MAOAMAOBCYP2A6CES1BCHE
SCHEMBL4596894 0.77 MAOA (0.42) MAOAMAOBCES1BCHEALDH1A1
SCHEMBL21187227 0.75 ALDH1A1 (0.40) MAOAMAOBCYP2A6ALDH1A1MAPT
SCHEMBL8169173 0.75 TDP2 (0.49) MAOAMAOBALDH1A1MAPTRAB9A
SCHEMBL59871 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024193313-A1 ISOCHROMANE COMPOUNDS AS WELL AS PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 江苏联环药业股份有限公司 2024-09-26 WO claimed
CN-117343036-A Isochroman compound, and pharmaceutical composition and application thereof 江苏联环药业股份有限公司 2024-01-05 CN claimed
CN-109400571-B Having a 1 Isochroman-4-ketone derivative with receptor blocking activity or pharmaceutically acceptable salt thereof, and preparation method and application thereof 中国药科大学 2022-11-08 CN claimed
CN-111333604-A 3-oxo-isochroman-4-one derivative and synthesis method thereof 合肥工业大学 2020-06-26 CN claimed
US-20050176775-A1 Substituted pyridinones PHARMACIA CORPORATION 2005-08-11 US claimed
WO-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO claimed
JP-9183774-A None JP disclosed
CN-114380751-B Indanamine derivatives, preparation method and application thereof 上海辉启生物医药科技有限公司 2025-03-07 CN disclosed
US-12240864-B2 Phosphine oxide group-contained transition metal complex, and polymer, mixture, composition, and organic electronic device thereof GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2025-03-04 US disclosed
US-20240368109-A1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME LLC (US) 2024-11-07 US disclosed
US-20240368177-A1 5-AMINO-6,8-DIHYDRO-1H-FURO[3,4-d]PYRROLO[3,2-b]PYRIDINE-2-CARBOXAMIDE DERIVATIVES AS MTA-COOPERATIVE INHIBITORS OF PRMT5 BEIGENE SWITZERLAND GMBH (CH) 2024-11-07 US disclosed
WO-2024193313-A1 ISOCHROMANE COMPOUNDS AS WELL AS PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 江苏联环药业股份有限公司 2024-09-26 WO disclosed
WO-2024163956-A2 SIGMA RECEPTOR LIGAND COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-08-08 WO disclosed
US-20040180939-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS INC. 2004-09-16 US disclosed
US-6756403-B2 6-AMINOCHROMAN-2-YL CARBOXYLIC ACIDS AND ESTERS AS PLATELET AGGREGATION INHIBITORS; FROM PHENOL AND KETOGLUTARIC ACID; OR FROM 2-HYDROXYACETOPHENONE AND DIETHYLOXALATE; OR FROM NITROPHENOL AND DIETHYL ESTER OF MALEIC ACID ELI LILLY AND COMPANY 2004-06-29 US disclosed
US-20040053992-A1 Methods for producing chiral chromones, chromanes, amino substituted chromanes and intermediates therefor ELI LILLY AND COMPANY 2004-03-18 US disclosed
EP-1292589-A2 METHODS FOR PRODUCING CHIRAL CHROMONES, CHROMANES, AMINO SUBSTITUTED CHROMANES AND INTERMEDIATES THEREFOR MILLENIUM PHARMACEUTICALS, INC. (US) 2003-03-19 EP disclosed
WO-2001094335-A2 METHODS FOR PRODUCING CHIRAL CHROMONES, CHROMANES, AMINO SUBSTITUTED CHROMANES AND INTERMEDIATES THEREFOR ELI LILLY & COMPANY (US) 2001-12-13 WO disclosed
JP-H09183774-A NEW DERIVATIVES OF GENISTEIN DRUG INST 1997-07-15 JP disclosed
CN-1034468-C Arthropodicidal carboxanilides DU PONT (US) 1997-04-09 CN 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 (6 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-12240864-B2 Phosphine oxide group-contained transition metal complex, and polymer, mixture, composition, and organic electronic device thereof PHOSPHO1, CPNE4, TCP1 MAOA 1185/4885MAOB 1089/4885CYP2A6 4369/4885
US-20040053992-A1 Methods for producing chiral chromones, chromanes, amino substituted chromanes and intermediates therefor NOTUM, FAR1, CYP51A1 MAOA 914/4885MAOB 1458/4885CYP2A6 382/4885
US-20240368109-A1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNA5, CHRNA6 MAOA 294/4885MAOB 386/4885CYP2A6 2168/4885
US-20040180939-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes BACE1, BACE2, APP MAOA 223/4885MAOB 407/4885CYP2A6 2406/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 MAOA 980/4885MAOB 560/4885CYP2A6 586/4885
US-20240368177-A1 5-AMINO-6,8-DIHYDRO-1H-FURO[3,4-d]PYRROLO[3,2-b]PYRIDINE-2-CARBOXAMIDE DERIVATIVES AS MTA-COOPERATIVE INHIBITORS OF PRMT5 PRMT5, PRMT6, PRMT1 MAOA 3475/4885MAOB 3356/4885CYP2A6 4431/4885

“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.