SCHEMBL796590

SCHEMBL796590

CNC(CC(=O)OC)C(C)=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
TSHR P16473 4/20 0.40
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 2/20 0.33
TET2 Q6N021 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 2/20 0.31
RAB9A P51151 1/20 0.31
CA12 O43570 1/20 0.30
CA14 Q9ULX7 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
RECQL P46063 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL13475040 1.00 MGAM (0.42) MGAMGAASIMGAM2TSHR
SCHEMBL12295403 0.82 TSHR (0.40) MGAMGAASIMGAM2TSHR
SCHEMBL3913292 0.82 TSHR (0.40) MGAMGAASIMGAM2TSHR
SCHEMBL28625413 0.82 TSHR (0.40) MGAMGAASIMGAM2TSHR
SCHEMBL14268339 0.82 TSHR (0.40) MGAMGAASIMGAM2TSHR
SCHEMBL1891853 0.82 TSHR (0.40) MGAMGAASIMGAM2TSHR
SCHEMBL13033614 0.82 TSHR (0.40) MGAMGAASIMGAM2TSHR
SCHEMBL796619 0.81 GAA (0.48) MGAMGAASIMGAM2TSHR
Hydrochloric Acid SCHEMBL3913288 0.80 TSHR (0.39) MGAMGAASIMGAM2TSHR
SCHEMBL13159726 0.80 TSHR (0.39) MGAMGAASIMGAM2TSHR

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-8778325-B2 Water-soluble and biodegradable antimicrobial agent FAR EASTERN NEW CENTURY CORPORATION (TW) 2014-07-15 US disclosed
US-20120082638-A1 Water-Soluble and Biodegradable Antimicrobial Agent FAR EASTERN NEW CENTURY CORPORATION (TW) 2012-04-05 US disclosed
US-20120071612-A1 METHOD FOR THE PRODUCTION OF POLYAMINO ACID RANDOM COPOLYMERS SIGMA-ALDRICH CO., LLC (US) 2012-03-22 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-20120082638-A1 Water-Soluble and Biodegradable Antimicrobial Agent LBR, H1-0, B2M MGAM 17/4885GAA 111/4885SI 77/4885

“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.