SCHEMBL886854

SCHEMBL886854

CC1(C)OC[C@@H]([C@H]2OC(=O)C(O)=C2OCc2ccccc2)O1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
ALDH1A1 P00352 1/20 0.35
HPSE Q9Y251 1/20 0.35
TP53 P04637 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
MAOB P27338 3/20 0.34
GRM2 Q14416 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
GSTP1 P09211 2/20 0.33
CTSV O60911 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
CTSC P53634 1/20 0.33
CTSF Q9UBX1 1/20 0.33
PRKCA P17252 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
SCHEMBL6851717 1.00 TMEM97 (0.38) TMEM97SIGMAR1ALDH1A1HPSETP53
SCHEMBL29022107 0.89 CTSV (0.34) TMEM97SIGMAR1ALDH1A1HPSETP53
SCHEMBL29022110 0.89 CTSV (0.34) TMEM97SIGMAR1ALDH1A1HPSETP53
SCHEMBL8539003 0.88 TMEM97 (0.37) TMEM97SIGMAR1ALDH1A1HPSETP53
SCHEMBL10703049 0.88 TMEM97 (0.37) TMEM97SIGMAR1ALDH1A1HPSETP53
SCHEMBL13013398 0.88 TMEM97 (0.37) TMEM97SIGMAR1ALDH1A1HPSETP53
SCHEMBL10959545 0.87 MAOB (0.41) OPRM1OPRD1MAOB
SCHEMBL17068318 0.87 TMEM97 (0.36) TMEM97SIGMAR1ALDH1A1HPSETP53
SCHEMBL17068337 0.87 TMEM97 (0.36) TMEM97SIGMAR1ALDH1A1HPSETP53
SCHEMBL16950173 0.85 TMEM97 (0.38) TMEM97SIGMAR1ALDH1A1HPSETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8081462-A None JP disclosed
JP-8081455-A None JP disclosed
CN-110343096-B Method for synthesizing 3-O-alkyl-5, 6-O-isopropylidene ascorbic acid by circulation method 湖北阿泰克生物科技股份有限公司 2022-12-02 CN disclosed
CN-110218230-B Vitamin C coupled platinum complex, intermediate thereof, preparation method thereof, pharmaceutical composition and application 天津谷堆生物医药科技有限公司 2022-06-28 CN disclosed
US-20200316229-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS RADIOTRACERS FOR IMAGING OF REACTIVE OXIDATIVE SPECIES UNIV WAKE FOREST HEALTH SCIENCES (US) 2020-10-08 US disclosed
CN-104370977-B Preparation method of 2-O-(2, 3, 4, 6-tetra-O-acetyl-Beta-D-glucopyranosyl)-3-O-benzyl-5, 6-isopropylidene-ascorbic acid 山东师范大学 2017-05-24 CN disclosed
CN-105267231-A Application of L-ascorbyl glycoside compounds to preparation of alpha-glucosidase inhibitors UNIV HUAZHONG AGRICULTURAL 2016-01-27 CN disclosed
US-20150250169-A1 ASCORBIC ACID-RELATED COMPOUND AND PLANT ANTIVIRAL AGENT NIPPON SODA CO., LTD. (JP) 2015-09-10 US disclosed
US-20150250169-A1 ASCORBIC ACID-RELATED COMPOUND AND PLANT ANTIVIRAL AGENT NIPPON SODA CO., LTD. (JP) 2015-09-10 US disclosed
EP-2902387-A1 ASCORBIC ACID-RELATED COMPOUND AND ANTI-PLANT-VIRUS AGENT Nippon Soda Co., Ltd. (JP) 2015-08-05 EP disclosed
US-20070065380-A1 2-O-(beta-D-glucopyranosyl) ascorbic acid, process for its production, and foods cosmetics containing compositions comprising it SUNTORY LIMITED 2007-03-22 US disclosed
EP-1640025-A1 COMPOSITION FOR EXTERNAL USE SUNTORY LIMITED (JP) 2006-03-29 EP disclosed
US-20060039937-A1 Composition having antioxidant properties MERCK PATENT GMBH (DE) 2006-02-23 US disclosed
US-20050113312-A1 2-0-(-d-glucopyranosyl) ascorbic acid, process for its production, and foods and cosmetics containning compositions comprising it SUNTORY HOLDINGS LIMITED (JP) 2005-05-26 US disclosed
EP-1066277-B1 POLYETHOXYLATED ASCORBIC ACID DERIVATIVES AS A NOVEL ANTIOXIDANT AND PROCESS FOR PREPARING THEREOF LG CHEM INVESTMENT LTD (KR) 2003-07-09 EP disclosed
US-6444144-B1 FOOD, FEED, DRUGS AND COSMETICS LG CHEMICAL LTD. (KR) 2002-09-03 US disclosed
JP-H0881455-A ASCORBIC ACID-INOSITOL BONDED MATERIAL AND ITS PRODUCTION KANTO DENKA KOGYO CO LTD 1996-03-26 JP disclosed
JP-H0881462-A ASCORBIC ACID-KOJIC ACID CONJUGATE AND PRODUCTION KANTO DENKA KOGYO CO LTD 1996-03-26 JP disclosed
US-5011949-A Antioxidant; prevents browing of foods, retains flaver and freshness NIPPON HYPOX LABORATORIES, INC. (JP) 1991-04-30 US disclosed
EP-0411182-A1 Ascorbic acid derivative NIPPON HYPOX LABORATORIES INCORPORATED (JP) 1991-02-06 EP 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 (5 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-20060039937-A1 Composition having antioxidant properties GPX4, GPX1, CAT TMEM97 4023/4885SIGMAR1 1154/4885ALDH1A1 168/4885
US-20150250169-A1 ASCORBIC ACID-RELATED COMPOUND AND PLANT ANTIVIRAL AGENT CBR3, OSR1, OXSR1 TMEM97 3815/4885SIGMAR1 470/4885ALDH1A1 993/4885
US-20050113312-A1 2-0-(-d-glucopyranosyl) ascorbic acid, process for its production, and foods and cosmetics containning compositions comprising it GALNT6, GANC, B4GALT1 TMEM97 1870/4885SIGMAR1 4303/4885ALDH1A1 142/4885
US-20070065380-A1 2-O-(beta-D-glucopyranosyl) ascorbic acid, process for its production, and foods cosmetics containing compositions comprising it GANC, UGGT1, B4GALT1 TMEM97 2810/4885SIGMAR1 4546/4885ALDH1A1 154/4885
US-20200316229-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS RADIOTRACERS FOR IMAGING OF REACTIVE OXIDATIVE SPECIES ROS1, GPX4, NOX4 TMEM97 1004/4885SIGMAR1 358/4885ALDH1A1 622/4885

“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.