SCHEMBL3148606

SCHEMBL3148606

CC(C)(C)OC(=O)C1CC1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
NR1H2 P55055 1/20 0.37
DGAT1 O75907 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
BTK Q06187 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
EPHX2 P34913 1/20 0.33
HPGD P15428 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
SCHEMBL1298054 1.00 MAPK1 (0.41) MAPK1CHRM2CHRM1CHRM3NR1H2
SCHEMBL1297403 0.91 BTK (0.43) MAPK1CHRM2CHRM1CHRM3NR1H2
SCHEMBL6160832 0.91 DGAT1 (0.41) MAPK1CHRM2CHRM1CHRM3DGAT1
SCHEMBL1297008 0.91 BTK (0.43) MAPK1CHRM2CHRM1CHRM3NR1H2
SCHEMBL25286574 0.91 BTK (0.43) MAPK1CHRM2CHRM1CHRM3NR1H2
SCHEMBL25245251 0.91 BTK (0.43) MAPK1CHRM2CHRM1CHRM3NR1H2
SCHEMBL6162465 0.91 BTK (0.43) MAPK1CHRM2CHRM1CHRM3NR1H2
SCHEMBL6159675 0.91 DGAT1 (0.41) MAPK1CHRM2CHRM1CHRM3DGAT1
SCHEMBL6159678 0.91 DGAT1 (0.41) MAPK1CHRM2CHRM1CHRM3DGAT1
SCHEMBL28741145 0.91 MAPK1 (0.37) MAPK1CHRM2CHRM1CHRM3NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1731499-B1 PROCESS FOR PRODUCING 1,2-CIS-2-FLUOROCYCLOPROPANE-1-CARBOXYLIC ESTER COMPOUND DAIICHI SANKYO CO LTD (JP) 2014-10-01 EP disclosed
US-7847041-B2 Cobalt-catalyzed asymmetric cyclopropanation of electron-deficient olefins UNIVERSITY OF SOUTH FLORIDA (US) 2010-12-07 US disclosed
US-7847041-B2 Cobalt-catalyzed asymmetric cyclopropanation of electron-deficient olefins UNIVERSITY OF SOUTH FLORIDA (US) 2010-12-07 US disclosed
US-7847041-B2 Cobalt-catalyzed asymmetric cyclopropanation of electron-deficient olefins UNIVERSITY OF SOUTH FLORIDA (US) 2010-12-07 US disclosed
US-20100076239-A1 ASYMMETRIC CYCLOPROPANATION OF ELECTRON-DEFICIENT OLEFINS WITH DIAZO REAGENTS UNIVERSITY OF SOUTH FLORIDA (US) 2010-03-25 US disclosed
US-20100076239-A1 ASYMMETRIC CYCLOPROPANATION OF ELECTRON-DEFICIENT OLEFINS WITH DIAZO REAGENTS UNIVERSITY OF SOUTH FLORIDA (US) 2010-03-25 US disclosed
US-20100076239-A1 ASYMMETRIC CYCLOPROPANATION OF ELECTRON-DEFICIENT OLEFINS WITH DIAZO REAGENTS UNIVERSITY OF SOUTH FLORIDA (US) 2010-03-25 US disclosed
US-20090069519-A1 COBALT-CATALYZED ASYMMETRIC CYCLOPROPANATION OF ELECTRON-DEFICIENT OLEFINS NATIONAL SCIENCE FOUNDATION 2009-03-12 US disclosed
US-20090069519-A1 COBALT-CATALYZED ASYMMETRIC CYCLOPROPANATION OF ELECTRON-DEFICIENT OLEFINS NATIONAL SCIENCE FOUNDATION 2009-03-12 US disclosed
US-20090069519-A1 COBALT-CATALYZED ASYMMETRIC CYCLOPROPANATION OF ELECTRON-DEFICIENT OLEFINS NATIONAL SCIENCE FOUNDATION 2009-03-12 US disclosed
US-7381833-B2 Process for producing 1,2-cis-2-fluorocyclopropane-1-carboxylic ester compound DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-06-03 US disclosed
US-20070191626-A1 Process for producing 1,2-cis-2 fluorocyclopropane- 1carboxylic ester compound DAIICHI PHARMACEUTICAL CO., LTD (JP) 2007-08-16 US disclosed
EP-1731499-A1 PROCESS FOR PRODUCING 1,2-CIS-2-FLUOROCYCLOPROPANE-1­CARBOXYLIC ESTER COMPOUND DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-12-13 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 (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-20070191626-A1 Process for producing 1,2-cis-2 fluorocyclopropane- 1carboxylic ester compound HACL2, B2M, CA1 MAPK1 1093/4885CHRM2 18/4885CHRM1 19/4885
US-20100076239-A1 ASYMMETRIC CYCLOPROPANATION OF ELECTRON-DEFICIENT OLEFINS WITH DIAZO REAGENTS DUOX2, DUOX1, PPOX MAPK1 4216/4885CHRM2 3109/4885CHRM1 2812/4885

“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.