SCHEMBL70158

SCHEMBL70158

COC(=O)[C@H]1CCC[C@@H](C(=O)OC)S1(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM3 P20309 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.35
PPM1B O75688 1/20 0.34
PTPN1 P18031 1/20 0.34
PPP1CC P36873 1/20 0.34
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
CYP1A2 P05177 1/20 0.32
HIF1A Q16665 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
SCHEMBL6608989 0.77 SMN1; SMN2 (0.36) CHRM2CHRM4CHRM3SMN1; SMN2PPM1B
SCHEMBL68010 0.70 PEPD (0.32) SMN1; SMN2
SCHEMBL4614064 0.70 CHRM2 (0.53) CHRM2CHRM4CHRM3SMN1; SMN2PPM1B
SCHEMBL2833747 0.70 SMN1; SMN2 (0.59) CHRM2CHRM4CHRM3SMN1; SMN2PPM1B
SCHEMBL18408 0.70
SCHEMBL9133786 0.70 CHRM2 (0.53) CHRM2CHRM4CHRM3SMN1; SMN2PPM1B
SCHEMBL9133791 0.70 CHRM2 (0.53) CHRM2CHRM4CHRM3SMN1; SMN2PPM1B
SCHEMBL23458811 0.69 SMN1; SMN2 (0.62) CHRM2CHRM4CHRM3SMN1; SMN2PPM1B
Water SCHEMBL28833621 0.69
Hydrochloric Acid SCHEMBL27905220 0.69

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 CHRM2 256/4885CHRM4 162/4885CHRM3 312/4885

“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.