SCHEMBL3053124

SCHEMBL3053124

CN(C)c1ccc(C=O)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
DPP4 P27487 1/20 0.37
CYP2A6 P11509 4/20 0.37
CYP2A13 Q16696 1/20 0.37
CYP2E1 P05181 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP2C19 P33261 1/20 0.35
APP P05067 2/20 0.35
KDM4E B2RXH2 4/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
POLB P06746 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 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
SCHEMBL50496 0.88 DPP4 (0.49) ALDH1A1DPP4CYP2A6CYP2A13CYP2E1
SCHEMBL16888821 0.83 ALDH1A1 (0.39) ALDH1A1DPP4CYP2A6CYP2A13CYP2E1
SCHEMBL15040939 0.79 ALDH1A1 (0.44) ALDH1A1DPP4CYP2A6CYP2A13CYP2E1
SCHEMBL50725 0.77 ALDH1A1 (0.46) ALDH1A1DPP4CYP2A6CYP2E1CYP3A4
SCHEMBL1959113 0.77 ALDH1A1 (0.39) ALDH1A1DPP4CYP2A6CYP2E1CYP3A4
SCHEMBL1957123 0.75 ALDH1A1 (0.38) ALDH1A1DPP4KDM4EPOLB
2,5-Thiophenenedicarboxaldehyde SCHEMBL178830 0.74
SCHEMBL28791779 0.74 ALDH1A1 (0.35) ALDH1A1DPP4CYP2A6CYP2E1CYP3A4
SCHEMBL13237821 0.74 ALDH1A1 (0.44) ALDH1A1DPP4APPKDM4EMAPT
SCHEMBL17009479 0.74 ADH1A (0.40) ALDH1A1KDM4EGAAMAPTCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120118124-A Nitrogen-rich DOPO-based flame retardant, synthesis and application thereof 常州大学 2025-06-10 CN claimed
CN-119912625-A Preparation process of methacrylate film-forming resin with high sensitivity and high sensitivity 和也健康科技有限公司 2025-05-02 CN claimed
CN-119192132-A Preparation method and application of biostable compound 中山大学 2024-12-27 CN claimed
CN-104945307-A Benzoindolyl salt material and nonlinear optical crystal thereof, and preparation method and application thereof UNIV BEIJING SCIENCE & TECH 2015-09-30 CN claimed
CN-102351851-A 4-(5-dimethylaminothiophenevinyl)methylpyridine sulfonate, second-order nonlinear optical crystal of 4-(5-dimethylaminothiophenevinyl)methylpyridine sulfonate, and their preparation methods UNIV BEIJING SCIENCE & TECH 2012-02-15 CN claimed
JP-10030061-A None JP disclosed
US-20260049073-A1 SPECTACLE LENS COMPRISING AN ORGANIC DYE OAKLEY, INC. (US) 2026-02-19 US disclosed
CN-118852156-B Neutral dye probe based on G-quadruplex targeting, synthesis method and application 衡阳师范学院 2025-10-17 CN disclosed
CN-120118124-A Nitrogen-rich DOPO-based flame retardant, synthesis and application thereof 常州大学 2025-06-10 CN disclosed
CN-119912625-A Preparation process of methacrylate film-forming resin with high sensitivity and high sensitivity 和也健康科技有限公司 2025-05-02 CN disclosed
CN-119192132-A Preparation method and application of biostable compound 中山大学 2024-12-27 CN disclosed
WO-2024226717-A1 SPECTACLE LENS COMPRISING AN ORGANIC DYE OAKLEY, INC. (US) 2024-10-31 WO disclosed
WO-2004009602-A1 PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-01-29 WO disclosed
JP-H1030061-A METALLIC COMPLEX COLORING MATTER, HEAT-SENSITIVE TRANSFER IMAGE-FORMING MATERIAL, FORMATION OF IMAGE AND FORMATION OF HEAT-SENSITIVE TRANSFER IMAGE KONICA CORP 1998-02-03 JP disclosed
US-5292896-A Electrography, durability RICOH COMPANY, LTD. (JP) 1994-03-08 US disclosed
US-5072043-A STYRENE DERIVATIVES AND ELECTROPHOTOGRAPHIC PHOTOCONDUCTOR COMPRISING ONE OF THE STYRENE DERIVATIVES RICOH COMPANY, LTD. (JP) 1991-12-10 US disclosed
EP-0200947-B1 1,3-DISUBSTITUTED IMIDAZOLIUM SALTS F. HOFFMANN-LA ROCHE AG (CH) 1990-09-12 EP disclosed
US-4831151-A NEMATOCIDES HOFFMANN-LA ROCHE INC. (US) 1989-05-16 US disclosed
CN-86102906-A Preparation 1, the method for the two substituted imidazole  salt of 3- 1987-02-11 CN disclosed
US-4603097-A Styrene derivatives and electrophotographic photoconductor comprising one of the styrene derivatives RICOH COMPANY, LIMITED (JP) 1986-07-29 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 (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-20260049073-A1 SPECTACLE LENS COMPRISING AN ORGANIC DYE STRA6, TCOF1, CLIC1 ALDH1A1 873/4885DPP4 3270/4885CYP2A6 175/4885

“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.