SCHEMBL10000224

SCHEMBL10000224

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
TSHR P16473 4/20 0.39
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
HSD17B10 Q99714 1/20 0.36
CA12 O43570 2/20 0.33
CA14 Q9ULX7 2/20 0.33
ANPEP P15144 1/20 0.31
ENPEP Q07075 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
TET2 Q6N021 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 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
SCHEMBL26864406 0.86 ALDH1A1 (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL10000228 0.82 MGAM (0.41) MGAMGAASIMGAM2TSHR
SCHEMBL12940852 0.80 TSHR (0.40) MGAMGAASIMGAM2TSHR
SCHEMBL12295404 0.80 TSHR (0.40) MGAMGAASIMGAM2TSHR
SCHEMBL9856671 0.80 TSHR (0.40) MGAMGAASIMGAM2TSHR
SCHEMBL12295406 0.80 TSHR (0.40) MGAMGAASIMGAM2TSHR
SCHEMBL20342143 0.79 ALDH1A1 (0.34) MGAMGAASIMGAM2ALDH1A1
SCHEMBL16982706 0.78 TSHR (0.39) MGAMGAASIMGAM2TSHR
SCHEMBL13936455 0.78 MGAM (0.41) MGAMGAASIMGAM2TSHR
SCHEMBL15180390 0.78 CYP2D6 (0.42) 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 4 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-8728447-B2 Teeth-whitening gel FAR EASTERN NEW CENTURY CORPORATION (TW) 2014-05-20 US disclosed
US-20130216487-A1 Teeth-Whitening Gel FAR EASTERN NEW CENTURY CORPORATION (TW) 2013-08-22 US disclosed
US-20120082638-A1 Water-Soluble and Biodegradable Antimicrobial Agent FAR EASTERN NEW CENTURY CORPORATION (TW) 2012-04-05 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 (2 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-20130216487-A1 Teeth-Whitening Gel MPO, TXLNA, TXN MGAM 1531/4885GAA 1717/4885SI 2139/4885
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.