SCHEMBL13205142

SCHEMBL13205142

CCOC(=O)CC(C(=O)O)N(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
ALDH1A1 P00352 8/20 0.40
TRPA1 O75762 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
TSHR P16473 2/20 0.38
ALOX15 P16050 3/20 0.38
CYP3A4 P08684 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD17B10 Q99714 3/20 0.37
CHRM1 P11229 1/20 0.37
ADORA1 P30542 1/20 0.37
CYP1A2 P05177 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL15900030 0.86 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL13205139 0.85 HCAR2 (0.36) ALDH1A1LMNAL3MBTL1
SCHEMBL3257425 0.81 MGAM (0.40) MGAMGAASIMGAM2ALDH1A1
Hydrochloric Acid SCHEMBL3248744 0.79 MGAM (0.39) MGAMGAASIMGAM2ALDH1A1
SCHEMBL13205143 0.79 PTGS1 (0.34)
SCHEMBL8917503 0.76 ALDH1A1 (0.54) MGAMGAASIMGAM2ALDH1A1
SCHEMBL20028538 0.75 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL12570553 0.74 CYP2D6 (0.39) GAAMEN1KMT2ACYP2D6
SCHEMBL10330314 0.74 CYP2D6 (0.39) GAAMEN1KMT2ACYP2D6
SCHEMBL28521435 0.74 CHRNB2 (0.38) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781391-B2 Amine/amide-functionalized lipophiles CRODA, INC. (US) 2010-08-24 US disclosed
US-20070238896-A1 Amine/amide-functionalized lipophiles CRODA, INC. (US) 2007-10-11 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-20070238896-A1 Amine/amide-functionalized lipophiles TYR, LPO, CUTA MGAM 3197/4885GAA 1104/4885SI 4020/4885

“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.