SCHEMBL17623904

SCHEMBL17623904

CC(=O)O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OC(N)=O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BCHE P06276 11/20 0.48
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.36
CHRM2 P08172 3/20 0.34
MEN1 O00255 1/20 0.34
CYP2D6 P10635 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRM1 P11229 1/20 0.34

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
SCHEMBL17624089 1.00 BCHE (0.48) BCHEALDH1A1MAPTCHRM2MEN1
SCHEMBL17624088 1.00 BCHE (0.48) BCHEALDH1A1MAPTCHRM2MEN1
SCHEMBL17623700 1.00 BCHE (0.48) BCHEALDH1A1MAPTCHRM2MEN1
SCHEMBL7276665 0.90 BCHE (0.54) BCHEALDH1A1MAPTCHRM2MEN1
SCHEMBL12199932 0.90 BCHE (0.54) BCHEALDH1A1MAPTCHRM2MEN1
SCHEMBL7150802 0.90 BCHE (0.54) BCHEALDH1A1MAPTCHRM2MEN1
SCHEMBL7152562 0.90 BCHE (0.54) BCHEALDH1A1MAPTCHRM2MEN1
SCHEMBL16309274 0.90 BCHE (0.47) BCHEALDH1A1MAPT
SCHEMBL16309279 0.90 BCHE (0.47) BCHEALDH1A1MAPT
SCHEMBL17618218 0.90 BCHE (0.47) BCHEALDH1A1MAPT

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-20160326185-A1 SYNTHESIS OF ISOHEXIDE DICARBAMATES AND DERIVATIVES THEREOF ARCHER DANIELS MIDLAND COMPANY 2016-11-10 US disclosed
US-9422304-B2 Synthesis of isohexide dicarbamates and derivatives thereof ARCHER DANIELS MIDLAND COMPANY (US) 2016-08-23 US disclosed
US-20160083396-A1 SYNTHESIS OF ISOHEXIDE DICARBAMATES AND DERIVATIVES THEREOF ARCHER DANIELS MIDLAND CO (US) 2016-03-24 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-20160083396-A1 SYNTHESIS OF ISOHEXIDE DICARBAMATES AND DERIVATIVES THEREOF PRKCA, PRKCE, PRKCI BCHE 1011/4885ALDH1A1 3338/4885MAPT 1146/4885
US-20160326185-A1 SYNTHESIS OF ISOHEXIDE DICARBAMATES AND DERIVATIVES THEREOF PRKCA, PRKCE, PRKCI BCHE 1011/4885ALDH1A1 3338/4885MAPT 1146/4885

“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.