SCHEMBL3358291

SCHEMBL3358291

CC(C)=CCOC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP12 P39900 1/20 0.36
TRPV1 Q8NER1 3/20 0.35
HDAC6 Q9UBN7 1/20 0.34
TTR P02766 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
PGGT1B P53609 1/20 0.34
BTN3A1 O00481 2/20 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
SCHEMBL15978373 0.86 ALDH1A1 (0.67) ALOX15ALDH1A1TRPV1FNTAFNTB
SCHEMBL15978372 0.86 ALDH1A1 (0.67) ALOX15ALDH1A1TRPV1FNTAFNTB
SCHEMBL15980320 0.84 ALDH1A1 (0.65) ALOX15ALDH1A1TRPV1FNTAFNTB
SCHEMBL15980984 0.84 ALDH1A1 (0.65) ALOX15ALDH1A1TRPV1FNTAFNTB
SCHEMBL15968251 0.84 ALDH1A1 (0.65) ALOX15ALDH1A1TRPV1FNTAFNTB
SCHEMBL15980319 0.84 ALDH1A1 (0.65) ALOX15ALDH1A1TRPV1FNTAFNTB
SCHEMBL15980975 0.84 ALDH1A1 (0.65) ALOX15ALDH1A1TRPV1FNTAFNTB
SCHEMBL6913629 0.82 ALDH1A1 (0.48) ALOX15ALDH1A1MMP1MMP2MMP9
SCHEMBL883432 0.80 HDAC6 (0.41) ALDH1A1HDAC6
SCHEMBL12743336 0.80 HDAC6 (0.41) ALDH1A1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1783111-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOPROPANECARBOXYLATE COMPOUND SUMITOMO CHEMICAL CO (JP) 2015-04-08 EP disclosed
EP-2781522-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUND, ASYMMETRIC CATALYST, AND METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOPROPANE COMPOUND USING SAID CATALYST Sumitomo Chemical Company, Limited (JP) 2014-09-24 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
US-7705165-B2 Method for producing optically active cyclopropanecarboxylate compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-27 US disclosed
US-7671210-B2 Process for production of optically active cyclopropanecarboxylate compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-02 US disclosed
EP-1783130-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOPROPANECARBOXYLATE COMPOUND SUMITOMO CHEMICAL CO (JP) 2009-12-30 EP disclosed
US-20090048450-A1 Process for production of optically active cyclopropanecarboxylate compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-02-19 US disclosed
US-20080027235-A1 Method for Producing Optically Active Cyclopropanecarboxylate Compound SUMITOMO CHEMICAL COMPANY, LIMITED 2008-01-31 US disclosed
EP-1783111-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOPROPANECARBOXYLATE COMPOUND Sumitomo Chemical Company, Limited (JP) 2007-05-09 EP disclosed
EP-1783130-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOPROPANECARBOXYLATE COMPOUND Sumitomo Chemical Company, Limited (JP) 2007-05-09 EP disclosed
US-20070032659-A1 Process for producing optically active cyclopropane compound and asymmetric copper complex for use in the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-02-08 US disclosed
EP-1674445-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE CYCLOPROPANE COMPOUND AND ASYMMETRIC COPPER COMPLEX FOR USE IN THE SAME Sumitomo Chemical Company, Limited (JP) 2006-06-28 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 (3 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-20080027235-A1 Method for Producing Optically Active Cyclopropanecarboxylate Compound ACSL6, AOC1, CA6 ALOX15 593/4885ALDH1A1 1222/4885MMP1 4850/4885
US-20090048450-A1 Process for production of optically active cyclopropanecarboxylate compound CBR3, C9, CBR1 ALOX15 1218/4885ALDH1A1 1594/4885MMP1 4685/4885
US-20070032659-A1 Process for producing optically active cyclopropane compound and asymmetric copper complex for use in the same CBR3, AOC3, CBR1 ALOX15 956/4885ALDH1A1 185/4885MMP1 2870/4885

“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.