SCHEMBL9187945

SCHEMBL9187945

O=C1NC(=O)C2=C1C=CCC2

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.36
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL17654017 0.77
SCHEMBL15160718 0.72 TRPA1 (0.40) TRPA1ALDH1A1
SCHEMBL19336228 0.70 ALDH1A1 (0.42) TRPA1ALDH1A1
SCHEMBL20897220 0.70 TRPA1 (0.39) TRPA1ALDH1A1
SCHEMBL14141193 0.68 ALDH1A1 (0.32) ALDH1A1
SCHEMBL11168286 0.67 ACVR1 (0.41)
SCHEMBL20169555 0.67 TRPA1 (0.37) TRPA1ALDH1A1
SCHEMBL4591696 0.67 GSK3A (0.43)
SCHEMBL1872402 0.65 TRPA1 (0.54) TRPA1ALDH1A1
SCHEMBL6054987 0.64 TRPA1 (0.35) TRPA1ALDH1A1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0474595-B1 Aqueous dispersion of low-solubility UV-absorbers CIBA GEIGY AG (CH) 1995-09-27 EP claimed
EP-4722209-A1 PROTAC COMPOUND TARGETING ESTROGEN RECEPTOR, PREPARATION METHOD THEREFOR, AND USE THEREOF Beijing Shenogen Pharma Group (CN) 2026-04-08 EP disclosed
WO-2025026283-A1 COMPOUND FOR SELECTIVELY DEGRADING SMARCA2/4 AND USE THEREOF 甘李药业股份有限公司 2025-02-06 WO disclosed
WO-2024156294-A1 ESTROGEN RECEPTOR PROTEOLYSIS TARGETING CHIMERA COMPOUND AND USE THEREOF 甘李药业股份有限公司 2024-08-02 WO disclosed
CN-118201929-A PROTAC compound, pharmaceutical composition containing same, and preparation method and application thereof 广东弘烨医药科技有限公司 2024-06-14 CN disclosed
WO-2024017372-A1 INDOLONE DERIVATIVE AND USE THEREOF 成都百裕制药股份有限公司 2024-01-25 WO disclosed
US-20230357249-A1 ANDROGEN RECEPTOR PROTEIN DEGRADERS WITH A TRICYCLIC CEREBLON LIGAND UNIV MICHIGAN REGENTS (US) 2023-11-09 US disclosed
WO-2023072270-A1 PROTAC COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USE THEREOF 百极弘烨(南通)医药科技有限公司 2023-05-04 WO disclosed
US-20220388978-A1 CEREBLON E3 LIGASE INHIBITORS REGENTS OF THE UNIVERSITY OF MICHIGAN 2022-12-08 US disclosed
CN-115023267-A Spirocyclic androgen receptor protein degrading agents 密歇根大学董事会 2022-09-06 CN disclosed
CN-114641337-A CEREBLON E3 ligase inhibitors 密歇根大学董事会 2022-06-17 CN disclosed
EP-3359544-B1 NOVEL MODIFIED MACROCYCLIC COMPOUNDS Bayer Pharma AG (DE) 2020-08-12 EP disclosed
WO-2017060167-A1 NOVEL MODIFIED MACROCYCLIC COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-13 WO disclosed
US-9594187-B2 Material for optical film, polymer, article prepared by using the polymer, and display device including the article SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-03-14 US disclosed
EP-2689031-B1 FUNCTIONALIZED 3-ALKYNYL PYRAZOLOPYRIMIDINE ANALOGUES AS UNIVERSAL BASES AND METHODS OF USE ELITECHGROUP B V (NL) 2016-10-19 EP disclosed
US-20130303691-A1 NOVEL MATERIAL FOR OPTICAL FILM, POLYMER, ARTICLE PREPARED BY USING THE POLYMER, AND DISPLAY DEVICE INCLUDING THE ARTICLE SAMSUNG ELECTRONICS CO., LTD. (KR) 2013-11-14 US disclosed
US-8476411-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2013-07-02 US disclosed
WO-2013033476-A1 BRANCHED DISCRETTE PEG CONSTRUCTS QUANTA BIODESIGN, LTD. (US) 2013-03-07 WO disclosed
US-20090123968-A1 Compositions Containing, Methods Involving, and Uses of Non-Natural Amino Acids and Polypeptides AMBRX, INC. (US) 2009-05-14 US disclosed
WO-2008024337-A2 COMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS INFINITY DISCOVERY, INC. (US) 2008-02-28 WO 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 (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-20090123968-A1 Compositions Containing, Methods Involving, and Uses of Non-Natural Amino Acids and Polypeptides PTMS, DAO, DNPEP TRPA1 4774/4885ALDH1A1 3172/4885
US-20230357249-A1 ANDROGEN RECEPTOR PROTEIN DEGRADERS WITH A TRICYCLIC CEREBLON LIGAND AR, GPER1, CRBN TRPA1 2349/4885ALDH1A1 291/4885
US-20220388978-A1 CEREBLON E3 LIGASE INHIBITORS CRBN, CUL3, UBE3A TRPA1 4828/4885ALDH1A1 3487/4885

“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.