SCHEMBL3360240

SCHEMBL3360240

CSCOc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.52
CHRNB2 P17787 2/20 0.48
CHRNB4 P30926 2/20 0.48
CHRNA3 P32297 2/20 0.48
CHRNA7 P36544 2/20 0.48
CHRNA4 P43681 2/20 0.48
LTA4H P09960 3/20 0.48
HTR1B P28222 2/20 0.46
LMNA P02545 1/20 0.46
HTR1D P28221 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RECQL P46063 1/20 0.46
ALOX15 P16050 1/20 0.44
CA4 P22748 1/20 0.43
KCNH2 Q12809 1/20 0.43
PKM P14618 1/20 0.42
MAOA P21397 1/20 0.42
PTGS1 P23219 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
SCHEMBL5377907 0.81 KCNA3 (0.55) KCNA3CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL11285757 0.78 KCNA3 (0.58) KCNA3CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL1148270 0.77 NQO1 (0.70) LTA4HLMNAALDH1A1PKM
SCHEMBL7894721 0.77 KCNA3 (0.50) KCNA3CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL13461370 0.77 DRD2 (0.47) ALDH1A1KCNH2
SCHEMBL7244289 0.77 KCNA3 (0.62) KCNA3CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL6305305 0.75 NQO1 (0.35)
SCHEMBL10911324 0.75 ALDH1A1 (0.50) KCNA3CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL9668483 0.75 ALDH1A1 (0.44) CHRNA7ALDH1A1
SCHEMBL13978367 0.75 AGXT (0.64) ALDH1A1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115611790-A Preparation method of methylthio methyl phenyl ether 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) 2023-01-17 CN claimed
US-20230025922-A1 USE OF ITACONATE AND ITS DERIVATIVES/ANALOGUES TO INDUCE HAIR GROWTH THE JOHNS HOPKINS UNIVERSTY 2023-01-26 US disclosed
CN-115611790-A Preparation method of methylthio methyl phenyl ether 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) 2023-01-17 CN disclosed
CN-115611790-A Preparation method of methylthio methyl phenyl ether 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) 2023-01-17 CN disclosed
CN-115611790-A Preparation method of methylthio methyl phenyl ether 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) 2023-01-17 CN disclosed
US-10344177-B2 Under layer film-forming composition for imprints and method for forming pattern FUJIFILM CORPORATION (JP) 2019-07-09 US disclosed
CN-108602825-A Purine compounds having anticancer activity 中央研究院 2018-09-28 CN disclosed
CN-104114605-B Method for polymer synthesis 沙特阿美技术公司 2018-06-22 CN disclosed
US-20150258092-A1 RIBOSOME STRUCTURE AND PROTEIN SYNTHESIS INHIBITORS YALE UNIVERSITY (US) 2015-09-17 US disclosed
US-8912150-B2 Ribosome structure and protein synthesis inhibitors MELINTA THERAPEUTICS, INC. (US) 2014-12-16 US disclosed
EP-1308457-B1 Ribosome structure and protein synthesis inhibitors UNIV YALE (US) 2013-12-04 EP disclosed
US-8470990-B2 Ribosome structure and protein synthesis inhibitors RIB-X PHARMACEUTICALS, INC. (US) 2013-06-25 US disclosed
US-20100204253-A1 Ribosome Structure and Protein Synthesis Inhibitors YALE UNIVERSITY (US) 2010-08-12 US disclosed
US-7666849-B2 ligands that are designed to specifically kill or inhibit the growth of any target organism RIB-X PHARMACEUTICALS, INC. (US) 2010-02-23 US disclosed
US-20050272681-A1 ligands that are designed to specifically kill or inhibit the growth of any target organism YALE UNIVERSITY (US) 2005-12-08 US disclosed
US-6947845-B2 Method of identifying molecules that bind to the large ribosomal subunit YALE UNIVERSITY (US) 2005-09-20 US disclosed
US-20050036997-A1 Molecular modeling of the binding sites for anisomycin, azithromycin, erythromycin, linezolid, tylosin, carbomycin A, spiramycin, virginiamycin, sparsomycin and blasticidin using the Haloarcular marismortui large ribosomal subunit; drug design and drug screening YALE UNIVERSITY (US) 2005-02-17 US disclosed
EP-1308457-A1 Ribosome structure and protein synthesis inhibitors YALE UNIVERSITY (US) 2003-05-07 EP disclosed
US-6207838-B1 ELECTROLYSIS IN LIQUID SULFUR DIOXIDE THE UNIVERSITY OF ARIZONA 2001-03-27 US disclosed
EP-1048752-A2 Electrochemically generated organothiating reagents and their use ALBEMARLE CORPORATION (US) 2000-11-02 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 (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-20230025922-A1 USE OF ITACONATE AND ITS DERIVATIVES/ANALOGUES TO INDUCE HAIR GROWTH LRBA, HADHA, IMPDH1 KCNA3 4740/4885CHRNB2 4853/4885CHRNB4 4843/4885

“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.