SCHEMBL1878653

SCHEMBL1878653

COC(=O)/C=C/OC(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.55
HCAR2 Q8TDS4 3/20 0.55
KEAP1 Q14145 1/20 0.55
GFPT1 Q06210 1/20 0.39
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
TYR P14679 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
ALDH1A1 P00352 5/20 0.34
ALOX15 P16050 2/20 0.34
HSD17B10 Q99714 2/20 0.34
RECQL P46063 1/20 0.34
MAPT P10636 4/20 0.33
KDM4E B2RXH2 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
JAK2 O60674 1/20 0.33
GAA P10253 1/20 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
SCHEMBL1878654 1.00 NFE2L2 (0.55) NFE2L2HCAR2KEAP1GFPT1CA12
SCHEMBL1883837 0.81 HCAR2 (0.58) NFE2L2HCAR2KEAP1CA12CA1
SCHEMBL1883838 0.81 HCAR2 (0.58) NFE2L2HCAR2KEAP1CA12CA1
SCHEMBL20037028 0.79 NFE2L2 (0.52) NFE2L2HCAR2KEAP1GFPT1CA12
SCHEMBL1879464 0.76 HCAR2 (0.33) HCAR2CA1CA2CA7
SCHEMBL1880732 0.76 HCAR2 (0.52) HCAR2CA12CA1CA2CA7
SCHEMBL1879466 0.76 HCAR2 (0.33) HCAR2CA1CA2CA7
SCHEMBL3259874 0.75
SCHEMBL6059987 0.75
SCHEMBL6059983 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1666440-B1 METHOD FOR PRODUCING AROMATIC UNSATURATED COMPOUND SUMITOMO CHEMICAL CO (JP) 2014-01-22 EP disclosed
US-7939674-B2 Process for producing an aromatic unsaturated compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-10 US disclosed
US-7700642-B2 Process for producing an aromatic unsaturated compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-20 US disclosed
US-20090111999-A1 PROCESS FOR PRODUCING AN AROMATIC UNSATURATED COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-04-30 US disclosed
US-20080221337-A1 Process for Producing an Aromatic Unsaturated Compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-11 US disclosed
EP-1666440-A1 METHOD FOR PRODUCING AROMATIC UNSATURATED COMPOUND Sumitomo Chemical Company, Limited (JP) 2006-06-07 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-20080221337-A1 Process for Producing an Aromatic Unsaturated Compound AHR, AR, ARSA NFE2L2 229/4885HCAR2 122/4885KEAP1 227/4885
US-20090111999-A1 PROCESS FOR PRODUCING AN AROMATIC UNSATURATED COMPOUND AHR, AR, ARSA NFE2L2 229/4885HCAR2 122/4885KEAP1 227/4885

“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.