SCHEMBL70066

SCHEMBL70066

CCOC(=O)C[C@H]1CCC[C@@H](CC(=O)OCC)N1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.40
GABRA1 P14867 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRA3 P34903 2/20 0.40
GABRA2 P47869 2/20 0.40
GABRB2 P47870 2/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
KCNH2 Q12809 1/20 0.38
CYP2D6 P10635 5/20 0.38
CYP1A2 P05177 2/20 0.38
TRPA1 O75762 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL69766 0.92 GAA (0.43) KMT2APOLBGABRA1GABRG2GABRB3
SCHEMBL22065518 0.80 GAA (0.39) KMT2APOLBGABRA1GABRG2GABRB3
SCHEMBL26024215 0.78 POLB (0.51) KMT2APOLBGABRA1GABRG2GABRB3
SCHEMBL1881523 0.76 ALDH1A1 (0.46) KMT2APOLBMGAMGAASI
SCHEMBL13908061 0.76 CHRM2 (0.47) KMT2APOLBMGAMGAASI
Acetic Acid SCHEMBL22028362 0.76 MGAM (0.35) KMT2APOLBGABRA1GABRG2GABRB3
SCHEMBL13908060 0.76 CHRM2 (0.47) KMT2APOLBMGAMGAASI
Acetic Acid SCHEMBL22028294 0.76 MGAM (0.35) KMT2APOLBGABRA1GABRG2GABRB3
SCHEMBL17614655 0.76 GABRA1 (0.42) KMT2APOLBGABRA1GABRG2GABRB3
SCHEMBL5109639 0.76 GABRA1 (0.42) KMT2APOLBGABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2479203-A1 AROMATIC POLYESTER Muroran Institute of Technology (JP) 2012-07-25 EP disclosed
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 KMT2A 1042/4885POLB 3973/4885GABRA1 1441/4885

“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.