SCHEMBL1259618

SCHEMBL1259618

BrCc1cccc(-c2cccc(CBr)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.52
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.52
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
AGXT P21549 2/20 0.45
PRKCI P41743 1/20 0.43
PRMT6 Q96LA8 3/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
MMP3 P08254 1/20 0.39
BCL2 P10415 1/20 0.38
AOC3 Q16853 2/20 0.38
EPHX2 P34913 1/20 0.37
GGPS1 O95749 2/20 0.36
ACMSD Q8TDX5 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CHKA P35790 1/20 0.36

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
SCHEMBL30987236 1.00 TRPA1 (0.52) TRPA1ALDH1A1TSHRCYP4F2CYP4A11
SCHEMBL120295 0.93 ALDH1A1 (0.59) TRPA1ALDH1A1TSHRCYP4F2CYP4A11
SCHEMBL3357853 0.91 TRPA1 (0.56) TRPA1ALDH1A1TSHRCYP4F2CYP4A11
SCHEMBL30987239 0.91 TRPA1 (0.50) TRPA1ALDH1A1TSHRCYP4F2CYP4A11
SCHEMBL1311054 0.91 TRPA1 (0.50) TRPA1ALDH1A1TSHRCYP4F2CYP4A11
SCHEMBL630242 0.89 TAAR1 (0.45) TRPA1ALDH1A1TSHRCYP4F2CYP4A11
SCHEMBL13451385 0.89 CYP4F2 (0.44) TRPA1ALDH1A1TSHRCYP4F2CYP4A11
SCHEMBL16675041 0.89 TRPA1 (0.54) TRPA1ALDH1A1TSHRCYP4F2CYP4A11
SCHEMBL16675050 0.89 TRPA1 (0.54) TRPA1ALDH1A1TSHRCYP4F2CYP4A11
SCHEMBL15125657 0.87 ALDH1A1 (0.50) TRPA1ALDH1A1TSHRCYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118085313-A Polyion liquid-metal organic framework composite material and preparation method and application thereof 福州大学 2024-05-28 CN claimed
EP-4692940-A1 PHOTOSENSITIVE RESIN COMPOSITION, CURED FILM, ELECTRONIC DEVICE, AND ELECTRONIC DEVICE MANUFACTURING METHOD Sumitomo Bakelite Co., Ltd. (JP) 2026-02-11 EP disclosed
WO-2024225262-A1 POLYFUNCTIONAL VINYLBENZYL COMPOUND, RESIN COMPOSITION, PREPREG, RESIN FILM, METAL-CLAD LAMINATED SHEET, PRINTED WIRING BOARD, AND SEMICONDUCTOR PACKAGE 株式会社レゾナック 2024-10-31 WO disclosed
US-20240209026-A1 A4B7 THIOETHER PEPTIDE DIMER ANTAGONISTS PROTAGONIST THERAPEUTICS, INC. (US) 2024-06-27 US disclosed
CN-118085313-A Polyion liquid-metal organic framework composite material and preparation method and application thereof 福州大学 2024-05-28 CN disclosed
US-11840581-B2 α4β7 thioether peptide dimer antagonists PROTAGONIST THERAPEUTICS, INC. (US) 2023-12-12 US disclosed
US-20230192767-A1 IL-2RGAMMA BINDING COMPOUNDS MCMEEKIN, DERMOT (GB) 2023-06-22 US disclosed
US-20230063321-A1 Methods for Treating Inflammatory Bowel Diseases with alpha4beta7 Integrin Antagonists PROTAGONIST THERAPEUTICS, INC. 2023-03-02 US disclosed
US-11548914-B2 IL-2Rgamma binding compounds MEDIKINE, INC. (US) 2023-01-10 US disclosed
WO-2022261257-A1 STAPLED PEPTIDES AND METHODS THEREOF FOG PHARMACEUTICALS, INC. (US) 2022-12-15 WO disclosed
EP-0906261-B1 HYDROFORMYLATION PROCESS AND CATALYSTS SUITABLE THEREFOR CONTAINING PHOSPHORUS COMPOUNDS AS LIGANDS BASF AG (DE) 2001-05-09 EP disclosed
EP-0906261-A1 HYDROFORMYLATION PROCESS AND CATALYSTS SUITABLE THEREFOR CONTAINING PHOSPHORUS COMPOUNDS AS LIGANDS BASF AKTIENGESELLSCHAFT (DE) 1999-04-07 EP disclosed
WO-1997046507-A1 HYDROFORMYLATION PROCESS AND CATALYSTS SUITABLE THEREFOR CONTAINING PHOSPHORUS COMPOUNDS AS LIGANDS BASF AKTIENGESELLSCHAFT (DE) 1997-12-11 WO disclosed
US-5583131-A FOR TREATMENT OR PREVENTION OF ACQUIRED IMMUNE DEFICIENCY SYNDROME, REDUCED TOXICITY JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 1996-12-10 US disclosed
EP-0619813-A1 LINKED CYCLIC POLYAMINES WITH ACTIVITY AGAINST HIV JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 1994-10-19 EP disclosed
WO-1993012096-A1 LINKED CYCLIC POLYAMINES WITH ACTIVITY AGAINST HIV JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 1993-06-24 WO disclosed
US-4564705-A POLYAMIDE, POLYUREA AND POLYURETHANE MONOMERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-01-14 US disclosed
US-4451642-A Bis(aminoneopentyl) aromatics and polyamides derived therefrom E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-05-29 US disclosed
US-4130579-A Bis(2-methyl-2-cyanopropyl) aromatics E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-12-19 US disclosed
US-4107444-A INTERMEDIATES FOR POLYESTERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-08-15 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 (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-20230063321-A1 Methods for Treating Inflammatory Bowel Diseases with alpha4beta7 Integrin Antagonists ITGB7, ITGB4, ITGA4 TRPA1 1146/4885ALDH1A1 2526/4885TSHR 1814/4885
US-11840581-B2 α4β7 thioether peptide dimer antagonists EPCAM, SELPLG, VCAM1 TRPA1 1872/4885ALDH1A1 2562/4885TSHR 575/4885
US-20240209026-A1 A4B7 THIOETHER PEPTIDE DIMER ANTAGONISTS EPCAM, ANXA7, GRB7 TRPA1 1552/4885ALDH1A1 3588/4885TSHR 672/4885

“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.