SCHEMBL3055807

SCHEMBL3055807

CC(=O)OCC=C(C)CBr

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
ALOX15 P16050 2/20 0.57
PTPN1 P18031 1/20 0.46
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TRPA1 O75762 2/20 0.38
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PGGT1B P53609 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
CA2 P00918 1/20 0.32
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
PGR P06401 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
HTR1A P08908 1/20 0.32
CHRNB2 P17787 1/20 0.32
TBXA2R P21731 1/20 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
SCHEMBL3055805 1.00 ALDH1A1 (0.57) ALDH1A1ALOX15PTPN1LMNAHSD17B10
SCHEMBL5245886 1.00 ALDH1A1 (0.57) ALDH1A1ALOX15PTPN1LMNAHSD17B10
SCHEMBL16485592 0.89 ALDH1A1 (0.71) ALDH1A1ALOX15PTPN1FNTAFNTB
SCHEMBL381050 0.89 ALDH1A1 (0.71) ALDH1A1ALOX15PTPN1FNTAFNTB
SCHEMBL16673068 0.89 ALDH1A1 (0.71) ALDH1A1ALOX15PTPN1FNTAFNTB
SCHEMBL11806001 0.89 ALDH1A1 (0.71) ALDH1A1ALOX15PTPN1FNTAFNTB
SCHEMBL8620391 0.89 ALDH1A1 (0.71) ALDH1A1ALOX15PTPN1FNTAFNTB
SCHEMBL381049 0.89 ALDH1A1 (0.71) ALDH1A1ALOX15PTPN1FNTAFNTB
SCHEMBL11805997 0.89 ALDH1A1 (0.71) ALDH1A1ALOX15PTPN1FNTAFNTB
SCHEMBL7705366 0.80 ALDH1A1 (0.47) ALDH1A1ALOX15PTPN1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110240543-B Preparation method of 4-bromo-3-methyl-2-buten-1-ol acetate 南京瑞鼎生物医药有限公司 2022-02-01 CN claimed
US-4175204-A Method of preparing E-4-acetoxy-2-methyl-2-butenal BABLER JAMES H 1979-11-20 US claimed
CN-111484407-B Preparation method of 1-halogenated-2-methyl-4-substituted carbonyloxy-2-butene 新发药业有限公司 2023-04-07 CN disclosed
CN-111484524-B Vitamin A acetate intermediate C15 and preparation method of vitamin A acetate 新发药业有限公司 2022-04-12 CN disclosed
CN-110240543-B Preparation method of 4-bromo-3-methyl-2-buten-1-ol acetate 南京瑞鼎生物医药有限公司 2022-02-01 CN disclosed
CN-110240543-B Preparation method of 4-bromo-3-methyl-2-buten-1-ol acetate 南京瑞鼎生物医药有限公司 2022-02-01 CN disclosed
CN-110240543-B Preparation method of 4-bromo-3-methyl-2-buten-1-ol acetate 南京瑞鼎生物医药有限公司 2022-02-01 CN disclosed
CN-111484407-A Preparation method of 1-halogenated-2-methyl-4-substituted carbonyloxy-2-butene 新发药业有限公司 2020-08-04 CN disclosed
CN-111484524-A Vitamin A acetate intermediate C15 and preparation method of vitamin A acetate 新发药业有限公司 2020-08-04 CN disclosed
US-20100222306-A1 Class of Gamma Delta T Cells Activators and Use Thereof INNATE PHARMA, S.A. (FR) 2010-09-02 US disclosed
US-7683045-B2 Class of γδ T cells activators and use thereof INNATE PHARMA S.A. (FR) 2010-03-23 US disclosed
US-20020107422-A1 Process for producing allyl halide compound SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2002-08-08 US disclosed
EP-0670300-B1 Process for the preparation of allyl quinone derivatives, and intermediates EISAI CO LTD (JP) 1999-06-23 EP disclosed
US-5874611-A Butenyl hydroquinone derivatives EISAI CHEMICAL CO., LTD. (JP) 1999-02-23 US disclosed
US-5565586-A Oxidative process for the preparation of allyl quinone derivatives EISAI CHEMICAL CO., LTD. (JP) 1996-10-15 US disclosed
EP-0670300-A2 Process for the preparation of allyl quinone derivatives, and intermediates EISAI CHEMICAL CO., LTD. (JP) 1995-09-06 EP disclosed
EP-0008581-A1 METHOD OF PREPARING E-4-ACETOXY-2-METHYL-2-BUTENAL BABLER, James, H. (US) 1980-03-05 EP disclosed
US-4175204-A Method of preparing E-4-acetoxy-2-methyl-2-butenal BABLER JAMES H 1979-11-20 US disclosed
WO-1979000485-A1 METHOD OF PREPARING E-4-ACETOXY-2-METHYL-2-BUTENAL BABLER J 1979-07-26 WO disclosed
US-3957836-A QUINONE DERIVATIVES TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1976-05-18 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-20100222306-A1 Class of Gamma Delta T Cells Activators and Use Thereof NFATC1, CD4, CD74 ALDH1A1 1830/4885ALOX15 1278/4885PTPN1 351/4885
US-20020107422-A1 Process for producing allyl halide compound ENY2, ZYX, RPS4Y1 ALDH1A1 1133/4885ALOX15 103/4885PTPN1 3173/4885

“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.