SCHEMBL3794658

SCHEMBL3794658

CC(CN)C(C)(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
GABRR1 P24046 4/20 0.37
CACNA2D1 P54289 2/20 0.37
CACNB3 P54284 1/20 0.37
CACNA1C Q13936 1/20 0.37
PGR P06401 1/20 0.37
ADRA1A P35348 1/20 0.37
HTR2B P41595 1/20 0.37
CACNA2D2 Q9NY47 1/20 0.37
TSHR P16473 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
LMNA P02545 1/20 0.33
ENPEP Q07075 2/20 0.32
GGT1 P19440 1/20 0.32
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32

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
Iodide SCHEMBL10424820 0.97 KDM4E (0.39) KDM4EGABRR1CACNA2D1CACNB3CACNA1C
Hydrochloric Acid SCHEMBL2677291 0.97 KDM4E (0.44) KDM4EGABRR1CACNA2D1CACNB3CACNA1C
SCHEMBL22412936 0.83 GABRR1 (0.48) KDM4EGABRR1CACNA2D1CACNB3CACNA1C
SCHEMBL1572815 0.79 TSHR (0.36) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL27945262 0.79 TSHR (0.36) ADRA1ATSHRALDH1A1CYP2D6CYP2C19
SCHEMBL5369984 0.79 TSHR (0.36) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL5322047 0.77 GABRR1 (0.36) KDM4EGABRR1CACNA2D1CACNB3CACNA1C
SCHEMBL751650 0.77 RNPEP (0.41) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL249850 0.77 TSHR (0.39) GABRR1CACNA2D1CACNB3CACNA1CPGR
SCHEMBL28450914 0.77 CYP2C9 (0.35) TSHRALDH1A1CYP2D6CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116381072-B Biomarker for identifying sporadic gout and frequent gout and application thereof 苏州艾麦锶生命科技有限公司 2024-05-31 CN claimed
CN-118011003-A Biomarker composition for diagnosing gastric cancer and application thereof 哈尔滨脉图精准技术有限公司 2024-05-10 CN disclosed
US-20230312967-A1 WATER-BASED INK COMPOSITION FOR WRITING INSTRUMENTS, WRITING INSTRUMENT, AND CARTRIDGE INK FOR WRITING INSTRUMENTS KABUSHIKI KAISHA PILOT CORPORATION (ALSO TRADING AS PILOT CORPORATION) (JP) 2023-10-05 US disclosed
EP-4206291-A1 INK COMPOSITION FOR WRITING IMPLEMENT, WRITING IMPLEMENT, AND CARTRIDGE INK FOR WRITING IMPLEMENT Kabushiki Kaisha Pilot Corporation (also trading as Pilot Corporation) (JP) 2023-07-05 EP disclosed
CN-116075563-A Aqueous ink composition for writing instrument, and pen core ink for writing instrument 株式会社百乐 2023-05-05 CN disclosed
US-20220031597-A1 TOPICAL COMPOSITION CONTAINING ASCORBIC ACID AND/OR SALT THEREOF ROHTO PHARMACEUTICAL CO., LTD. (JP) 2022-02-03 US disclosed
US-11166938-B2 External composition containing ascorbic acid and/or salts thereof ROHTO PHARMACEUTICAL CO., LTD. (JP) 2021-11-09 US disclosed
US-20210052481-A1 EXTERNAL COMPOSITION CONTAINING ASCORBIC ACID AND/OR SALT THEREOF ROHTO PHARMACEUTICAL CO., LTD. (JP) 2021-02-25 US disclosed
WO-2020067132-A1 TOPICAL COMPOSITION CONTAINING ASCORBIC ACID AND/OR SALT THEREOF ロート製薬株式会社 2020-04-02 WO disclosed
US-20190151284-A1 EXTERNAL COMPOSITION CONTAINING ASCORBIC ACID AND/OR SALTS THEREOF ROHTO PHARMACEUTICAL CO., LTD. (JP) 2019-05-23 US disclosed
CN-109414394-A Topical composition containing ascorbic acid and/or its salt 日本乐敦制药株式会社 2019-03-01 CN disclosed
CN-101677931-B Wrinkling-preventing and -modifying agent SHISEDO CO LTD 2013-01-02 CN disclosed
CN-102762541-A Diaza derivatives as modulators of chemokine receptors HOFFMANN LA ROCHE 2012-10-31 CN disclosed
JP-2010248211-A COMPOSITION FOR ENHANCING COLLAGEN SYNTHESIS ROHTO PHARMACEUT CO LTD 2010-11-04 JP disclosed
US-20060263399-A1 Preparation for external use on skin VIVIER CANADA INC. (CA) 2006-11-23 US disclosed
US-20060039961-A1 Percutaneous absorption accelerator VIVIER CANADA INC. (CA) 2006-02-23 US disclosed
US-20060030621-A1 Preparation for external use on skin VIVIER CANADA INC. (CA) 2006-02-09 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 (6 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-20060039961-A1 Percutaneous absorption accelerator TPSG1, TPSB2, TPSD1 KDM4E 4223/4885GABRR1 4115/4885CACNA2D1 4364/4885
US-11166938-B2 External composition containing ascorbic acid and/or salts thereof TTPA, PROC, LRAT KDM4E 3253/4885GABRR1 3817/4885CACNA2D1 3243/4885
US-20060263399-A1 Preparation for external use on skin CUTA, SLC6A12, PROC KDM4E 4226/4885GABRR1 2597/4885CACNA2D1 3980/4885
US-20060030621-A1 Preparation for external use on skin FUCA2, LIPA, PROC KDM4E 4374/4885GABRR1 4362/4885CACNA2D1 3918/4885
US-20210052481-A1 EXTERNAL COMPOSITION CONTAINING ASCORBIC ACID AND/OR SALT THEREOF SLC6A12, PROC, EBP KDM4E 3990/4885GABRR1 2114/4885CACNA2D1 2247/4885
US-20190151284-A1 EXTERNAL COMPOSITION CONTAINING ASCORBIC ACID AND/OR SALTS THEREOF TTPA, PROC, LRAT KDM4E 3253/4885GABRR1 3817/4885CACNA2D1 3243/4885

“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.