SCHEMBL3681702

SCHEMBL3681702

C=C(CC(=O)OCCCCCCCC)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.58
FAAH O00519 2/20 0.57
TSHR P16473 2/20 0.53
EPHX1 P07099 1/20 0.50
RAD52 P43351 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
DGKA P23743 1/20 0.48
HTR2C P28335 1/20 0.47
HCAR2 Q8TDS4 1/20 0.46
ACHE P22303 6/20 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
SCHEMBL3284153 1.00 NAAA (0.58) NAAAFAAHTSHREPHX1RAD52
SCHEMBL6658555 1.00 NAAA (0.58) NAAAFAAHTSHREPHX1RAD52
SCHEMBL2240975 1.00 NAAA (0.58) NAAAFAAHTSHREPHX1RAD52
SCHEMBL2518200 1.00 NAAA (0.58) NAAAFAAHTSHREPHX1RAD52
SCHEMBL8356331 1.00 NAAA (0.58) NAAAFAAHTSHREPHX1RAD52
SCHEMBL6340150 1.00 NAAA (0.58) NAAAFAAHTSHREPHX1RAD52
SCHEMBL6657722 1.00 NAAA (0.58) NAAAFAAHTSHREPHX1RAD52
SCHEMBL28441542 0.98 NAAA (0.56) NAAAFAAHTSHREPHX1RAD52
SCHEMBL1345366 0.98 NAAA (0.55) NAAAFAAHTSHREPHX1RAD52
Itaconate SCHEMBL28623653 0.95 NAAA (0.53) NAAAFAAHTSHREPHX1RAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122060117-A Poly (itaconate-butadiene-styrene) terpolymer, rubber composite material and preparation method 北京化工大学 2026-05-19 CN claimed
WO-2026090356-A2 MODIFIED MAMMALIAN CELLS FOR IMPROVED PRODUCTION GENZYME CORPORATION (US) 2026-04-30 WO claimed
WO-2025226878-A2 COMPOSITIONS AND METHODS FOR DELIVERING DNA THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2025-10-30 WO claimed
CN-118681065-B Nanoparticle drug-loaded delivery system based on bioorthogonal reaction and TCO modified biological valve 华中科技大学同济医学院附属协和医院 2025-06-17 CN claimed
CN-119842008-A Bio-based carboxylated itaconate elastomer, rubber glove material and preparation 北京化工大学 2025-04-18 CN claimed
CN-118557552-B Nanometer antibacterial medicine 武汉大学中南医院 2025-04-04 CN claimed
CN-119709592-A Primary culture method of mesenteric mesenchymal cells 中国人民解放军海军军医大学第一附属医院 2025-03-28 CN claimed
CN-119606991-A Metal-phenolic aldehyde network coating coated 4-octyl itaconic acid liposome-carried nano-particle, and preparation method and application thereof 南京大学 2025-03-14 CN claimed
CN-119331169-A Itaconate/conjugated diene/terpene multi-component copolymerization type bio-based rubber and vulcanized rubber and preparation method thereof 北京化工大学 2025-01-21 CN claimed
CN-119331170-A Integrated functionalized itaconate/butadiene/isoprene bio-based rubber and vulcanized rubber and preparation method thereof 北京化工大学 2025-01-21 CN claimed
CN-115400113-A Application of 4-octyl itaconic acid in preparing medicine for preventing or treating ovarian cancer 复旦大学附属中山医院 2022-11-29 CN claimed
CN-115124653-A Bio-based rubber and preparation method thereof 山东京博中聚新材料有限公司 2022-09-30 CN claimed
CN-114685922-A Bio-based itaconate rubber gloves and preparation method thereof 北京化工大学 2022-07-01 CN claimed
CN-114557993-A Application of 4-octyl itaconate in preparation of injection preparation before pancreas islet extraction 中南大学湘雅三医院 2022-05-31 CN claimed
CN-112521553-A Itaconate/styrene/butadiene copolymer, preparation method thereof and rubber composition 北京化工大学 2021-03-19 CN claimed
CN-112402446-A Application of 4-octyl itaconic acid in preparing medicine for treating acute lung injury caused by sepsis 江南大学 2021-02-26 CN claimed
US-20210017554-A1 Enzymatic Method for Selective Catalytic Preparation of 4-Octyl Itaconate BEIJING UNIVERSITY OF CHEMICAL TECHNOLOGY (CN) 2021-01-21 US claimed
US-20200375929-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH CANCER, INFLAMMATION, OR IMMUNE RESPONSE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-12-03 US claimed
EP-3668497-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH CANCER, INFLAMMATION, OR IMMUNE RESPONSE Washington University (US) 2020-06-24 EP claimed
WO-2019036509-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH CANCER, INFLAMMATION, OR IMMUNE RESPONSE WASHINGTON UNIVERSITY (US) 2019-02-21 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 (1 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-20200375929-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH CANCER, INFLAMMATION, OR IMMUNE RESPONSE IKBKG, IKBKB, NFKBIA NAAA 3689/4885FAAH 3765/4885TSHR 4577/4885

“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.