SCHEMBL3677070

SCHEMBL3677070

COC(=O)OCC=C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP12 P39900 1/20 0.39
FNTA P49354 2/20 0.37
FNTB P49356 2/20 0.37
TTR P02766 1/20 0.37
PGGT1B P53609 1/20 0.37
BTN3A1 O00481 1/20 0.36
PTGES O14684 1/20 0.34
CHRM1 P11229 1/20 0.34
TRPV1 Q8NER1 2/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
PTPN1 P18031 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL6913629 0.87 ALDH1A1 (0.48) ALOX15ALDH1A1MMP1MMP2MMP9
SCHEMBL11047528 0.86 ALDH1A1 (0.55) ALOX15ALDH1A1MMP1MMP2MMP9
SCHEMBL7683627 0.83 SOAT1 (0.46) ALOX15ALDH1A1MMP1MMP2MMP9
SCHEMBL21051958 0.82 ALDH1A1 (0.71) ALOX15ALDH1A1FNTAFNTBPGGT1B
SCHEMBL10988858 0.82 ALDH1A1 (0.71) ALOX15ALDH1A1FNTAFNTBPGGT1B
SCHEMBL10988863 0.82 ALDH1A1 (0.71) ALOX15ALDH1A1FNTAFNTBPGGT1B
Acetic Acid Methyl Ester SCHEMBL18344252 0.81 ALDH1A1 (0.59) ALOX15ALDH1A1MMP1MMP2MMP9
SCHEMBL11032261 0.79 ALDH1A1 (0.59) ALOX15ALDH1A1MMP1MMP2MMP9
SCHEMBL28901695 0.78 MGAM (0.46) ALOX15ALDH1A1MMP1MMP2MMP9
SCHEMBL22228977 0.77 ALDH1A1 (0.41) ALOX15ALDH1A1MMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000064902-A2 PROCESS FOR THE PREPARATION OF CALANOLIDE PRECURSORS CHIROTECH TECHNOLOGY LIMITED (GB) 2000-11-02 WO claimed
US-4454111-A Prenyl methyl carbonate and organoleptic uses thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1984-06-12 US claimed
US-4446157-A Prenyl methyl carbonate and organoleptic uses thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1984-05-01 US claimed
US-4420472-A TOOTHPASTES, MOUTHWASHES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1983-12-13 US claimed
EP-3621940-A1 COMPOSITIONS AND METHODS FOR PREPARING , -UNSATURATED ACIDS California Institute of Technology (US) 2020-03-18 EP disclosed
US-10336678-B2 Compositions and methods for preparing β,γ-unsaturated acids CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2019-07-02 US disclosed
US-20180327343-A1 COMPOSITIONS AND METHODS FOR PREPARING BETA,GAMMA-UNSATURATED ACIDS CALIFORNIA INSTITUTE OF TECHNOLOGY 2018-11-15 US disclosed
WO-2018209243-A1 COMPOSITIONS AND METHODS FOR PREPARING β,γ-UNSATURATED ACIDS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2018-11-15 WO disclosed
EP-1783111-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOPROPANECARBOXYLATE COMPOUND SUMITOMO CHEMICAL CO (JP) 2015-04-08 EP disclosed
US-7709651-B2 asymmetriccomplex of copper(I) trifluoromethanesulfonate and 1,1-bis[2-[(4S)-(tert-butyl)-oxazoline]]cyclopropane is added to 3-methyl-2-butenyl acetate and ethyl diazoacetate using dichloroethane solvent to effect reaction to produce ethyl 3,3-dimethyl-2-(acetoxymethyl)cyclopropanecarboxylate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-04 US disclosed
EP-1783130-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOPROPANECARBOXYLATE COMPOUND SUMITOMO CHEMICAL CO (JP) 2009-12-30 EP disclosed
EP-1783130-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOPROPANECARBOXYLATE COMPOUND Sumitomo Chemical Company, Limited (JP) 2007-05-09 EP disclosed
US-4454111-A Prenyl methyl carbonate and organoleptic uses thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1984-06-12 US disclosed
US-4454111-A Prenyl methyl carbonate and organoleptic uses thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1984-06-12 US disclosed
US-4446157-A Prenyl methyl carbonate and organoleptic uses thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1984-05-01 US disclosed
US-4446157-A Prenyl methyl carbonate and organoleptic uses thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1984-05-01 US disclosed
US-4446157-A Prenyl methyl carbonate and organoleptic uses thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1984-05-01 US disclosed
US-4420472-A TOOTHPASTES, MOUTHWASHES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1983-12-13 US disclosed
US-4420472-A TOOTHPASTES, MOUTHWASHES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1983-12-13 US disclosed
US-4420472-A TOOTHPASTES, MOUTHWASHES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1983-12-13 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-10336678-B2 Compositions and methods for preparing β,γ-unsaturated acids ELOVL5, FASN, ACSL5 ALOX15 30/4885ALDH1A1 239/4885MMP1 4758/4885
US-20180327343-A1 COMPOSITIONS AND METHODS FOR PREPARING BETA,GAMMA-UNSATURATED ACIDS ELOVL5, FASN, ACSL5 ALOX15 42/4885ALDH1A1 249/4885MMP1 4702/4885

“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.