SCHEMBL993397

SCHEMBL993397

[N-]=[N+]=C(C(=O)O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.46
CES2 O00748 5/20 0.46
TSHR P16473 3/20 0.46
ALDH1A1 P00352 2/20 0.46
DAO P14920 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
TDP1 Q9NUW8 4/20 0.42
CA2 P00918 3/20 0.42
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA9 Q16790 3/20 0.42
CYP3A4 P08684 2/20 0.42
MAPT P10636 2/20 0.42
CA4 P22748 2/20 0.42
HSD17B10 Q99714 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.42
PARP1 P09874 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 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
SCHEMBL17801512 0.87 SMN1; SMN2 (0.50) ALDH1A1MAPTL3MBTL1MAPK1KDM4E
SCHEMBL7789534 0.84 CES2 (0.56) CES1CES2TSHRALDH1A1DAO
SCHEMBL5682300 0.82 CES1 (0.52) CES1CES2TSHRALDH1A1DAO
SCHEMBL9091946 0.82 CYP2C19 (0.50) CES1CES2TSHRALDH1A1DAO
SCHEMBL28464639 0.80 ALDH1A1 (0.52) CES1CES2ALDH1A1TDP1MAPT
SCHEMBL5961932 0.80 ALOX15 (0.52) CES1CES2TSHRALDH1A1CA2
SCHEMBL3140047 0.80 CES2 (0.48) CES1CES2ALDH1A1CA2CA1
SCHEMBL28252458 0.80 CES2 (0.48) CES1CES2ALDH1A1CA2CA1
SCHEMBL5046739 0.78 CES2 (0.55) CES1CES2TSHRALDH1A1TDP1
SCHEMBL28468682 0.78 CES2 (0.55) CES1CES2L3MBTL1PARP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023155368-A1 CARBENE CO-GRAFTED MODIFIED FABRIC, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 苏州大学 2023-08-24 WO claimed
CN-115385948-A Spiro-dihydrobenzothiole bisoxazoline compound, preparation method and application thereof 中国科学院上海有机化学研究所 2022-11-25 CN claimed
CN-121974832-A Sulfonate synthesis method based on flow photochemistry technology 绍兴文理学院 2026-05-05 CN disclosed
US-12582752-B2 Medical device and method for manufacturing same TERUMO KABUSHIKI KAISHA (JP) 2026-03-24 US disclosed
US-12054564-B2 Medical device and method for manufacturing same TERUMO KABUSHIKI KAISHA (JP) 2024-08-06 US disclosed
EP-4005794-B1 MEDICAL INSTRUMENT AND METHOD FOR MANUFACTURING SAME TERUMO CORP (JP) 2024-07-10 EP disclosed
US-20240076796-A1 PULSE METHOD FOR THE ELECTRODEPOSITION OF CONDUCTIVE POLYMER Heraeus Medevio GmbH & Co. KG (DE) 2024-03-07 US disclosed
CN-116925021-A Dehydrocostuslactone alkylated derivative and salt thereof, pharmaceutical composition and application thereof 洛阳尚德药缘科技有限公司 2023-10-24 CN disclosed
WO-2023155368-A1 CARBENE CO-GRAFTED MODIFIED FABRIC, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 苏州大学 2023-08-24 WO disclosed
CN-114920645-B Synthesis method of alpha-methoxy methyl acetate derivative 常州大学 2023-07-18 CN disclosed
CN-116375771-A Preparation method of chiral iron complex 浙江九洲药业股份有限公司 2023-07-04 CN disclosed
US-20030130112-A1 Solid support dirhodium catalyst compositions and methods for making and using same RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK, THE 2003-07-10 US disclosed
US-20030130536-A1 Dirhodium catalyst compositions and methods for using same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-07-10 US disclosed
WO-2003018183-A2 DIRHODIUM CATALYST COMPOSITIONS AND METHODS FOR USING SAME THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2003-03-06 WO disclosed
WO-2003018184-A2 SOLID SUPPORT DIRHODIUM CATALYST COMPOSITIONS AND METHODS FOR MAKING AND USING SAME THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2003-03-06 WO disclosed
US-20020183535-A1 Metal catalysts and methods for making and using same DAVIES HUW M L (US) 2002-12-05 US disclosed
US-6410746-B1 ORGANOMETALLIC COMPOUND CONTAINING TRANSITION METAL RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK, THE 2002-06-25 US disclosed
EP-1173278-A1 METAL CATALYSTS AND METHODS FOR MAKING AND USING SAME THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2002-01-23 EP disclosed
WO-2000064583-A1 METAL CATALYSTS AND METHODS FOR MAKING AND USING SAME THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2000-11-02 WO disclosed
US-3997525-A Tetra-125 iodo-di-tyramine of digitalis derivative and process for making the same BIO-TEC, INC. (US) 1976-12-14 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-12582752-B2 Medical device and method for manufacturing same STS, DEGS1, HPSE CES1 571/4885CES2 273/4885TSHR 1049/4885
US-20020183535-A1 Metal catalysts and methods for making and using same COMT, SLC6A3, SLC6A2 CES1 886/4885CES2 104/4885TSHR 101/4885
US-20030130112-A1 Solid support dirhodium catalyst compositions and methods for making and using same DOHH, DHODH, HDHD5 CES1 2584/4885CES2 2109/4885TSHR 2924/4885
US-20030130536-A1 Dirhodium catalyst compositions and methods for using same DOHH, DNPH1, NOTUM CES1 170/4885CES2 128/4885TSHR 4842/4885

“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.