SCHEMBL18756641

SCHEMBL18756641

C=CCOC(=O)N(N)C[C@H](O)CO

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
CYP3A4 P08684 1/20 0.32
TSHR P16473 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 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
SCHEMBL19080581 0.80 TDP1 (0.37) TDP1MAPTCACNA1BAPBA1CYP3A4
SCHEMBL18756257 0.78 TDP1 (0.36) TDP1MAPTCACNA1BAPBA1CYP3A4
SCHEMBL5134780 0.74 MAPT (0.39) TDP1MAPTCACNA1BAPBA1CYP3A4
SCHEMBL18756267 0.74 MAPT (0.36) TDP1MAPTCACNA1BAPBA1CYP3A4
Glycerin SCHEMBL6834590 0.73 MAPT (0.42) TDP1MAPTCACNA1BAPBA1CYP3A4
Glycerin SCHEMBL8595519 0.72 ALDH1A1 (0.39) TDP1MAPTCACNA1BAPBA1CYP3A4
SCHEMBL19080580 0.72 PYGL (0.30)
SCHEMBL2070387 0.72 MAPT (0.42) TDP1MAPTCACNA1BAPBA1CYP3A4
Glycerin SCHEMBL10632349 0.71 LMNA (0.38) TDP1MAPTCACNA1BAPBA1CYP3A4
Glycerin SCHEMBL3140831 0.71 LMNA (0.38) TDP1MAPTCACNA1BAPBA1CYP3A4

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-20170190729-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-07-06 US disclosed
EP-3156410-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-04-19 EP 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-20170190729-A1 POLYENE MACROLIDE DERIVATIVE ERG28, RPL23, RPL10 TDP1 4057/4885MAPT 2901/4885CACNA1B 4147/4885

“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.