SCHEMBL1884754

SCHEMBL1884754

CCCCOC(=O)CC(OCC)OCC

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ATM Q13315 1/20 0.44
DGKA P23743 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 2/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 2/20 0.41
HPGD P15428 1/20 0.41
RAD52 P43351 1/20 0.41
FAAH O00519 1/20 0.40
HCAR2 Q8TDS4 1/20 0.39
HTR2C P28335 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
EPHX1 P07099 1/20 0.36

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
SCHEMBL29077537 0.91 NAAA (0.47) NAAAALDH1A1ATMDGKANPSR1
SCHEMBL1879488 0.90 NAAA (0.48) NAAAALDH1A1ATMDGKANPSR1
SCHEMBL1881682 0.90 NAAA (0.38) NAAAALDH1A1DGKANPSR1L3MBTL1
SCHEMBL1879519 0.86 NAAA (0.44) NAAAALDH1A1ATMDGKANPSR1
SCHEMBL1879615 0.85 ALDH1A1 (0.42) NAAAALDH1A1ATMDGKANPSR1
SCHEMBL19434159 0.83 NAAA (0.46) NAAAALDH1A1ATMDGKANPSR1
SCHEMBL1879588 0.82 NAAA (0.48) NAAAALDH1A1ATMDGKANPSR1
SCHEMBL8944129 0.82 NAAA (0.42) NAAAALDH1A1ATMDGKANPSR1
SCHEMBL27769359 0.81 NAAA (0.44) NAAAALDH1A1ATMDGKANPSR1
SCHEMBL204730 0.81 GAA (0.50) ALDH1A1L3MBTL1TSHRTDP1

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
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
US-5510512-A OXIDIZING ACETALIZATION OF ACRYLIC ACID ESTERS WITH ALCOHOLS IN PRESENCE OF OXYGEN AS OXIDANT AND CATALYST SYSTEM CONTAINING PLATINUM GROUP METAL OR COMPOUND AND COPPER COMPOUND HOECHST AKTIENGESELLSCHAFT (DE) 1996-04-23 US 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 338/4885ALDH1A1 231/4885ATM 2405/4885
US-20090111999-A1 PROCESS FOR PRODUCING AN AROMATIC UNSATURATED COMPOUND AHR, AR, ARSA NAAA 338/4885ALDH1A1 231/4885ATM 2405/4885

“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.