SCHEMBL1881682

SCHEMBL1881682

CCCOC(=O)CC(OCC)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.38
DGKA P23743 1/20 0.38
ALDH1A1 P00352 7/20 0.37
HCAR2 Q8TDS4 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.34
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
ESR1 P03372 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A2 P23975 1/20 0.33
KDR P35968 1/20 0.33
TRPA1 O75762 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
SCHEMBL1884754 0.90 NAAA (0.47) NAAADGKAALDH1A1HCAR2MAPT
SCHEMBL11090336 0.89 NAAA (0.39) NAAADGKAALDH1A1HCAR2MAPT
SCHEMBL204730 0.86 GAA (0.50) ALDH1A1MGAMGAASIMGAM2
SCHEMBL1879519 0.83 NAAA (0.44) NAAADGKAALDH1A1HCAR2MAPT
SCHEMBL8574175 0.83 MGAM (0.46) NAAAALDH1A1MGAMGAASI
SCHEMBL27748159 0.82 ALDH1A1 (0.38) NAAADGKAALDH1A1HCAR2MGAM
SCHEMBL29077537 0.81 NAAA (0.47) NAAADGKAALDH1A1HCAR2MAPT
SCHEMBL1876364 0.80 NAAA (0.39) NAAADGKAALDH1A1HCAR2MAPT
SCHEMBL21081924 0.79 ALDH1A1 (0.40) ALDH1A1MGAMGAASIMGAM2
SCHEMBL1879488 0.79 NAAA (0.48) NAAADGKAALDH1A1HCAR2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023141290-A1 PARP1 INHIBITORS AND USES THEREOF XINTHERA, INC. (US) 2023-07-27 WO disclosed
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 NAAA 338/4885DGKA 2940/4885ALDH1A1 231/4885
US-20090111999-A1 PROCESS FOR PRODUCING AN AROMATIC UNSATURATED COMPOUND AHR, AR, ARSA NAAA 338/4885DGKA 2940/4885ALDH1A1 231/4885

“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.