SCHEMBL1883907

SCHEMBL1883907

COC(=O)CC(OC(C)C)OC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
MAPT P10636 4/20 0.39
HSD17B10 Q99714 3/20 0.39
RAB9A P51151 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
HTT P42858 3/20 0.34
ALDH1A1 P00352 2/20 0.34
KCNA5 P22460 1/20 0.33
CA12 O43570 2/20 0.32
CA14 Q9ULX7 2/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
KMT2A Q03164 2/20 0.32
TET2 Q6N021 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL1885012 0.81 LMNA (0.42) TSHRMAPTHSD17B10ALDH1A1KMT2A
SCHEMBL2352529 0.79
SCHEMBL99435 0.77 TSHR (0.48) TSHRMAPTHSD17B10RAB9AMGAM
SCHEMBL7628960 0.77 TSHR (0.39) TSHRMAPTHSD17B10RAB9AMGAM
SCHEMBL14634280 0.76 TSHR (0.37) TSHRMAPTHSD17B10RAB9AMGAM
SCHEMBL14639582 0.76 TSHR (0.37) TSHRMAPTHSD17B10RAB9AMGAM
SCHEMBL1885097 0.76 TSHR (0.41) TSHRMAPTRAB9AGAAALDH1A1
SCHEMBL14634461 0.76 TSHR (0.37) TSHRMAPTHSD17B10RAB9AMGAM
SCHEMBL1880149 0.76 ALDH1A1 (0.40) TSHRMAPTALDH1A1LMNAKDM4E
SCHEMBL1885009 0.76 CYP2D6 (0.45) CA7

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 8 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
CN-100404479-C Method for producing aromatic unsaturated compound SUMITOMO CHEMICAL CO (JP) 2008-07-23 CN disclosed
CN-1871188-A Method for producing aromatic unsaturated compound SUMITOMO CHEMICAL CO (JP) 2006-11-29 CN 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 TSHR 3311/4885MAPT 4307/4885HSD17B10 158/4885
US-20090111999-A1 PROCESS FOR PRODUCING AN AROMATIC UNSATURATED COMPOUND AHR, AR, ARSA TSHR 3311/4885MAPT 4307/4885HSD17B10 158/4885

“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.