SCHEMBL13014696

SCHEMBL13014696

CCOCCNC(=O)COCC(N)=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
EPHX2 P34913 1/20 0.39
TSHR P16473 4/20 0.38
HSD17B10 Q99714 2/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
FAAH O00519 1/20 0.38
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NAMPT P43490 1/20 0.36
ASAH1 Q13510 1/20 0.35
PCNA P12004 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL10046331 0.97 ALDH1A1 (0.40) ALDH1A1EPHX2TSHRHSD17B10CASP1
SCHEMBL10001391 0.97 ALDH1A1 (0.40) ALDH1A1EPHX2TSHRHSD17B10CASP1
SCHEMBL13870366 0.97 ALDH1A1 (0.40) ALDH1A1EPHX2TSHRHSD17B10CASP1
SCHEMBL10046330 0.97 ALDH1A1 (0.40) ALDH1A1EPHX2TSHRHSD17B10CASP1
SCHEMBL21011153 0.93 ALDH1A1 (0.40) ALDH1A1EPHX2TSHRHSD17B10CASP1
SCHEMBL19069559 0.90 MEN1 (0.40) ALDH1A1EPHX2TSHRFAAHRECQL
SCHEMBL11933675 0.89 EPHX2 (0.41) ALDH1A1EPHX2TSHRHSD17B10FAAH
SCHEMBL13014692 0.88 MEN1 (0.41) EPHX2TSHRFAAHRECQLSMN1; SMN2
SCHEMBL10001388 0.88 MEN1 (0.41) EPHX2TSHRFAAHRECQLSMN1; SMN2
SCHEMBL10046334 0.88 MEN1 (0.41) EPHX2TSHRFAAHRECQLSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415510-B2 Synthesis of a PEG-6 moiety from commercial low-cost chemicals GE HEALTHCARE LIMITED (GB) 2013-04-09 US disclosed
US-8415510-B2 Synthesis of a PEG-6 moiety from commercial low-cost chemicals GE HEALTHCARE LIMITED (GB) 2013-04-09 US disclosed
US-20100324264-A1 SYNTHESIS OF A PEG-6 MOIETY FROM COMMERCIAL LOW-COST CHEMICALS GE HEALTHCARE LIMITED (GB) 2010-12-23 US disclosed
US-20100324264-A1 SYNTHESIS OF A PEG-6 MOIETY FROM COMMERCIAL LOW-COST CHEMICALS GE HEALTHCARE LIMITED (GB) 2010-12-23 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 (1 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-20100324264-A1 SYNTHESIS OF A PEG-6 MOIETY FROM COMMERCIAL LOW-COST CHEMICALS GAS6, LNPEP, BMP6 ALDH1A1 3799/4885EPHX2 501/4885TSHR 2840/4885

“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.