SCHEMBL1880149

SCHEMBL1880149

CCCOC(=O)CC(OC(C)C)OC(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
NPSR1 Q6W5P4 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 2/20 0.37
NAAA Q02083 1/20 0.36
DGKA P23743 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35
RAD52 P43351 1/20 0.35
LMNA P02545 3/20 0.34
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
ESR1 P03372 1/20 0.32
CHRM1 P11229 1/20 0.32
TSHR P16473 1/20 0.32
SLC6A2 P23975 1/20 0.32
KDR P35968 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL1879861 0.90 NAAA (0.46) ALDH1A1NPSR1L3MBTL1MAPTMAPK1
SCHEMBL1878324 0.85 MGAM (0.46) ALDH1A1MAPTLMNAKDM4ECHRM1
SCHEMBL133737 0.80 MMP1 (0.42) ALDH1A1NAAADGKAHCAR2TDP1
SCHEMBL1885097 0.79 TSHR (0.41) ALDH1A1NPSR1L3MBTL1MAPTLMNA
SCHEMBL28771817 0.78 HSD17B10 (0.43) ALDH1A1NPSR1L3MBTL1MAPTMAPK1
SCHEMBL28676786 0.78 HSD17B10 (0.43) ALDH1A1NPSR1L3MBTL1MAPTMAPK1
SCHEMBL1455380 0.78 HSD17B10 (0.43) ALDH1A1NPSR1L3MBTL1MAPTMAPK1
SCHEMBL1876364 0.78 NAAA (0.39) ALDH1A1NPSR1L3MBTL1MAPTMAPK1
SCHEMBL11090336 0.78 NAAA (0.39) ALDH1A1NPSR1L3MBTL1MAPTMAPK1
SCHEMBL2356624 0.77 ELANE (0.39) ALDH1A1NPSR1L3MBTL1MAPTMAPK1

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 ALDH1A1 231/4885NPSR1 1306/4885L3MBTL1 4528/4885
US-20090111999-A1 PROCESS FOR PRODUCING AN AROMATIC UNSATURATED COMPOUND AHR, AR, ARSA ALDH1A1 231/4885NPSR1 1306/4885L3MBTL1 4528/4885

“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.