SCHEMBL648724

SCHEMBL648724

CC(C)(C)OC(=O)CCCN

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
TSHR P16473 3/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC3 O15379 2/20 0.42
LMNA P02545 2/20 0.42
THRB P10828 2/20 0.42
BLM P54132 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
GABRR3 A8MPY1 1/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABBR2 O75899 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRR1 P24046 1/20 0.42

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
SCHEMBL22832200 0.98 CYP1A2 (0.52) CYP1A2TSHRHDAC1HDAC2HDAC6
Hydrochloric Acid SCHEMBL1093848 0.98 CYP1A2 (0.52) CYP1A2TSHRHDAC1HDAC2HDAC6
Acetic Acid SCHEMBL5167214 0.94 CYP1A2 (0.48) CYP1A2TSHRHDAC1HDAC2HDAC6
SCHEMBL901575 0.93 CYP1A2 (0.47) CYP1A2TSHRHDAC1HDAC2HDAC6
SCHEMBL7697296 0.91 PAOX (0.50) CYP1A2TSHRHDAC1HDAC2HDAC6
SCHEMBL22834112 0.91 PAOX (0.50) CYP1A2TSHRHDAC1HDAC2HDAC6
SCHEMBL21611683 0.91 PAOX (0.50) CYP1A2TSHRHDAC1HDAC2HDAC6
SCHEMBL931564 0.91 PAOX (0.50) CYP1A2TSHRHDAC1HDAC2HDAC6
SCHEMBL1952053 0.91 PAOX (0.50) CYP1A2TSHRHDAC1HDAC2HDAC6
SCHEMBL3365775 0.91 PAOX (0.50) CYP1A2TSHRHDAC1HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119988863-A Preparation process of Chinese patent medicine for treating hypertension based on big data analysis 北京圣君中医药科技研究院 2025-05-13 CN claimed
CN-118459451-A Phenyl urea compound and preparation method and application thereof 四川大学 2024-08-09 CN claimed
CN-114317450-B Hybridoma cell strain secreting Flurobendiamide monoclonal antibody and application thereof 江南大学 2023-10-27 CN claimed
EP-3666767-B1 PHTHALAZINONE DERIVATIVES, METHOD FOR THEIR PREPARATION THEREOF, PHARMACEUTICAL COMPOSITION COMPRISING THEM, AND THEIR USE SHANGHAI INST MATERIA MEDICA CAS (CN) 2021-12-01 EP claimed
US-11040952-B2 Phthalazinone compound, method for preparation thereof, pharmaceutical composition thereof, and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2021-06-22 US claimed
CN-109134429-B Phthalazinone compound, preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2021-06-01 CN claimed
EP-3666767-A1 PYRIDAZINONE COMPOUND, METHOD FOR PREPARATION THEREOF, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2020-06-17 EP claimed
US-20200181109-A1 PHTHALAZINONE COMPOUND, METHOD FOR PREPARATION THEREOF, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-06-11 US claimed
CN-107365342-B Aldosterone derivative, immunogene and synthetic method, specific antibody and detection reagent and preparation method, kit 苏州博源医疗科技有限公司 2019-08-06 CN claimed
CN-107382243-A A kind of heat-insulating heat-preserving material and preparation method thereof 湖州钟泰隔热材料有限公司 2017-11-24 CN claimed
CN-107365342-A Aldosterone derivative, immunogene and synthetic method, specific antibody and detection reagent and preparation method, kit 苏州博源医疗科技有限公司 2017-11-21 CN claimed
US-20150274628-A1 MULTIFUNCTIONAL RADICAL QUENCHERS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2015-10-01 US claimed
EP-2906207-A1 MULTIFUNCTIONAL RADICAL QUENCHERS Arizona Board of Regents on behalf of Arizona State University (US) 2015-08-19 EP claimed
CN-104557908-A Tetrahydroprotoberberine compounds, and preparation method and application thereof SHANGHAI INST MATERIA MEDICA 2015-04-29 CN claimed
WO-2014059158-A1 MULTIFUNCTIONAL RADICAL QUENCHERS ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA, ACTING FOR AN ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2014-04-17 WO claimed
EP-1140895-B1 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO (JP) 2004-03-24 EP claimed
EP-1064253-B1 ANTI-TUMOUR AGENTS ASTRAZENECA AB (SE) 2003-01-29 EP claimed
US-6346633-B1 TERT-AMINOPHENYLESTER OF ACID ASTRAZENECA AB (SE) 2002-02-12 US claimed
EP-1064253-A1 ANTI-TUMOUR AGENTS AstraZeneca AB (SE) 2001-01-03 EP claimed
WO-1999048857-A1 ANTI-TUMOUR AGENTS ASTRAZENECA AB (SE) 1999-09-30 WO claimed

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-20200181109-A1 PHTHALAZINONE COMPOUND, METHOD FOR PREPARATION THEREOF, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF POLRMT, POLN, HCCS CYP1A2 1001/4885TSHR 4750/4885HDAC1 523/4885
US-20150274628-A1 MULTIFUNCTIONAL RADICAL QUENCHERS SQOR, UQCRC1, PRDX5 CYP1A2 368/4885TSHR 1366/4885HDAC1 2148/4885
US-11040952-B2 Phthalazinone compound, method for preparation thereof, pharmaceutical composition thereof, and use thereof POLRMT, POLN, HCCS CYP1A2 1001/4885TSHR 4750/4885HDAC1 523/4885

“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.