SCHEMBL4314501

SCHEMBL4314501

C=CC(=O)NC(C)(C)C(=O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TSHR P16473 3/20 0.41
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TGM2 P21980 2/20 0.32
LMNA P02545 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL3116054 0.84 ALDH1A1 (0.43) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL1420537 0.82 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL27640713 0.80 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL379428 0.77 ALDH1A1 (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL1420931 0.76 ALDH1A1 (0.41) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL28126872 0.75
Bicarbonate SCHEMBL8361455 0.75 ALDH1A1 (0.47) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL18408604 0.75
SCHEMBL26478897 0.74 ALDH1A1 (0.40) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL7101115 0.74 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR

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
US-8574608-B2 Bactericidal silver surfactant delivery into coating and polymer compositions Eastern Michigan Universtity (US) 2013-11-05 US disclosed
US-20130259916-A1 BACTERICIDAL SILVER SURFACTANT DELIVERY INTO COATING AND POLYMER COMPOSITIONS EASTERN MICHIGAN UNIVERSITY (US) 2013-10-03 US disclosed
US-8268338-B2 Bactericidal silver surfactant delivery into coating and polymer compositions EASTERN MICHIGAN UNIVERSITY (US) 2012-09-18 US disclosed
US-20090060984-A1 ANIONIC SURFACTANTS LETHAL TO GRAM-POSITIVE BACTERIA EASTERN MICHIGAN UNIVERSITY 2009-03-05 US disclosed
US-20090018188-A1 BACTERICIDAL SILVER SURFACTANT DELIVERY INTO COATING AND POLYMER COMPOSITIONS EASTERN MICHIGAN UNIVERSITY 2009-01-15 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 (3 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-20090018188-A1 BACTERICIDAL SILVER SURFACTANT DELIVERY INTO COATING AND POLYMER COMPOSITIONS CAPG, CLTB, DSTN ALDH1A1 3875/4885CYP3A4 4351/4885CYP2C9 4127/4885
US-20130259916-A1 BACTERICIDAL SILVER SURFACTANT DELIVERY INTO COATING AND POLYMER COMPOSITIONS CAPG, CLTB, DSTN ALDH1A1 3875/4885CYP3A4 4351/4885CYP2C9 4127/4885
US-20090060984-A1 ANIONIC SURFACTANTS LETHAL TO GRAM-POSITIVE BACTERIA PHOSPHO1, DDOST, SGMS1 ALDH1A1 4759/4885CYP3A4 4675/4885CYP2C9 4646/4885

“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.