SCHEMBL69766

SCHEMBL69766

CCOC(=O)CC1CCC(CC(=O)OCC)N1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 2/20 0.40
TRPA1 O75762 1/20 0.40
POLB P06746 1/20 0.39
CYP2D6 P10635 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL70066 0.92 KMT2A (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL22065518 0.83 GAA (0.39) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL30899821 0.80 KMT2A (0.36) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL30899819 0.80 KMT2A (0.36) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL30899843 0.80 KMT2A (0.36) GAAMGAMSIMGAM2ALDH1A1
Acetic Acid SCHEMBL22028294 0.79 MGAM (0.35) GAAMGAMSIMGAM2ALDH1A1
Acetic Acid SCHEMBL22028362 0.79 MGAM (0.35) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL29023428 0.77 MGAM (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL23555938 0.74 NR1H2 (0.44) ALDH1A1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL3818592 0.74 ALDH1A1 (0.41) GAAMGAMSIMGAM2ALDH1A1

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-20120172570-A1 AROMATIC POLYESTER NITTA CORPORATION 2012-07-05 US disclosed
US-8129493-B2 Aromatic polyester MURORAN INSTITUTE OF TECHNOLOGY (JP) 2012-03-06 US disclosed
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME MURORAN INSTITUTE OF TECHNOLOGY (JP) 2011-09-15 US disclosed
US-20110092662-A1 AROMATIC POLYESTER NITTA CORPORATION (JP) 2011-04-21 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-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME F12, PHAX, WDR82 GAA 1423/4885MGAM 1964/4885SI 4249/4885

“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.