SCHEMBL6466859

SCHEMBL6466859

CCOC(=O)CC(CC(=O)OCC)OCOC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.48
HSD17B10 Q99714 2/20 0.48
LMNA P02545 1/20 0.48
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
TRPA1 O75762 1/20 0.39
TSHR P16473 3/20 0.37
ALOX15 P16050 3/20 0.37
CYP3A4 P08684 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
CHRM1 P11229 1/20 0.36
ADORA1 P30542 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
SOAT1 P35610 1/20 0.32
F2 P00734 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
SCHEMBL1268514 0.82 GAA (0.43) ALDH1A1HSD17B10LMNAMGAMGAA
SCHEMBL1268677 0.81 MGAM (0.41) ALDH1A1HSD17B10LMNAMGAMGAA
SCHEMBL10697367 0.78 GAA (0.43) ALDH1A1HSD17B10LMNAMGAMGAA
SCHEMBL1267661 0.78 ALDH1A1 (0.48) ALDH1A1HSD17B10LMNAMGAMGAA
SCHEMBL14963619 0.77 ALDH1A1 (0.46) ALDH1A1HSD17B10LMNAGAATSHR
SCHEMBL27617039 0.77 MGAM (0.38) ALDH1A1HSD17B10LMNAMGAMGAA
SCHEMBL265477 0.74 ALDH1A1 (0.44) ALDH1A1HSD17B10LMNAMGAMGAA
SCHEMBL9745564 0.74 ALDH1A1 (0.44) ALDH1A1HSD17B10LMNAMGAMGAA
SCHEMBL4025531 0.74 MGAM (0.43) ALDH1A1HSD17B10LMNAMGAMGAA
SCHEMBL9019745 0.74 ALDH1A1 (0.47) ALDH1A1HSD17B10LMNATSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014954-A1 Pyrrole synthesis CIBA SPECIALTY CHEMICALS CORP. 2005-01-20 US disclosed
EP-1451179-A1 PYRROLE SYNTHESIS Ciba SC Holding AG (CH) 2004-09-01 EP disclosed
WO-2003044011-A1 PYRROLE SYNTHESIS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-05-30 WO 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-20050014954-A1 Pyrrole synthesis PNPO, PPOX, DHPS ALDH1A1 511/4885HSD17B10 2670/4885LMNA 4840/4885

“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.