SCHEMBL1674935

SCHEMBL1674935

C[N+](C)(C)CCOCCO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
MAPK1 P28482 2/20 0.56
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
LMNA P02545 2/20 0.48
CYP3A4 P08684 1/20 0.48
SLC5A7 Q9GZV3 1/20 0.48
ALDH1A1 P00352 1/20 0.46
CHRM5 P08912 5/20 0.42
CHRM1 P11229 5/20 0.42
CHRM3 P20309 5/20 0.42
CHRM2 P08172 4/20 0.42
CHRM4 P08173 4/20 0.42
CHRNB2 P17787 3/20 0.42
CHRNA7 P36544 3/20 0.42
CHRNA4 P43681 3/20 0.42
HTR1A P08908 2/20 0.42
ADRA2A P08913 1/20 0.42
ADRA1A P35348 1/20 0.42
PGR P06401 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
Water SCHEMBL5790238 0.97 TSHR (0.53) TSHRMAPK1MEN1KMT2ALMNA
Bromide SCHEMBL27927822 0.97 TSHR (0.53) TSHRMAPK1MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL4359628 0.97 TSHR (0.53) TSHRMAPK1MEN1KMT2ALMNA
SCHEMBL7650164 0.97 MEN1 (0.58) TSHRMAPK1MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL28873867 0.95 MEN1 (0.55) TSHRMAPK1MEN1KMT2ALMNA
Water SCHEMBL6891802 0.95 MEN1 (0.55) TSHRMAPK1MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL28136235 0.89 CYP3A4 (0.44) TSHRMAPK1MEN1KMT2ALMNA
SCHEMBL10015967 0.85 MEN1 (0.50) TSHRMAPK1MEN1KMT2ALMNA
SCHEMBL345651 0.85 CHRM5 (0.46) TSHRMAPK1MEN1KMT2ALMNA
Triethylene Glycol SCHEMBL28637373 0.84 CYP3A4 (0.65) TSHRMAPK1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119033617-A Liquid composition 瑞玞生物医学(深圳)有限公司 2024-11-29 CN claimed
CN-115820351-A Semiconductor wafer substrate cleaning solution composition and application method thereof 芯越微电子材料(嘉兴)有限公司 2023-03-21 CN claimed
CN-114796114-A Anti-tumor drug micelle and preparation method and application thereof 河南省锐达医药科技有限公司 2022-07-29 CN claimed
CN-114437128-A Choline phosphate modified paclitaxel medicine and preparation method and application thereof 中国科学院长春应用化学研究所 2022-05-06 CN claimed
CN-113967176-A Skin-fitting enhancement cosmetic composition 株式会社爱茉莉太平洋 2022-01-25 CN claimed
CN-111875745-A Grafting reaction extrusion production of super-hydrophilic PVDF membrane material and preparation process thereof 江苏益帆高分子材料有限公司 2020-11-03 CN claimed
CN-109943087-A A kind of modified meerschaum fiber reinforced rubber pitch manufacturing method 张明军 2019-06-28 CN claimed
CN-105085437-B Amphipathic derivatives of 3- (1- tert-butoxy carbonyl piperazines -4-yl) propionic acid and application thereof 上海交通大学 2018-07-03 CN claimed
CN-105085292-B Amphipathic derivatives of 3 ((2 (dimethylamino) ethyl group) (methyl) amino) propionic acid and application thereof 上海交通大学 2017-12-15 CN claimed
CN-105720253-A Carbon-coated lithium manganese phosphate cathode material and preparation method thereof 广西大学 2016-06-29 CN claimed
EP-0157469-A1 Phosphoric acid esters, their preparation and their use for the preparation of biocompatible surfaces BIOCOMPATIBLES LTD. (GB) 1985-10-09 EP claimed
CN-116585369-A Method for extracting mung bean flavone by ultrasonic-assisted eutectic solvent 中国农业大学 2023-08-15 CN disclosed
CN-112771139-B Method for extracting bio-oil from algal biomass 艾尼股份公司 2023-04-11 CN disclosed
EP-4159882-A1 METHOD FOR RECOVERING SILVER FROM PARTICLES, FOR EXAMPLE, OF PHOTOVOLTAIC CELLS Commissariat à l'énergie atomique et aux énergies alternatives (FR) 2023-04-05 EP disclosed
CN-115820351-A Semiconductor wafer substrate cleaning solution composition and application method thereof 芯越微电子材料(嘉兴)有限公司 2023-03-21 CN disclosed
US-20100196724-A1 HYDROPHILIC FILM FORMING COMPOSITION AND HYDROPHILIC MEMBER FUJIFILM CORPORATION (JP) 2010-08-05 US disclosed
US-7312208-B2 Quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2007-12-25 US disclosed
US-20070203115-A1 Novel quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2007-08-30 US disclosed
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds ASHAI KASEI PHARAMA CORPORATION (JP) 2007-08-16 US disclosed
US-5567419-A IMPROVED STORAGE STABILITY AND ORGANOLEPTIC PROPERTIES KANEBO LTD. (JP) 1996-10-22 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 (2 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-20070203115-A1 Novel quaternary ammonium compounds SLC10A2, SLC10A1, ABCB11 TSHR 3847/4885MAPK1 2622/4885MEN1 3457/4885
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds SLC10A1, GOT1, CES1 TSHR 2972/4885MAPK1 2341/4885MEN1 3722/4885

“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.