SCHEMBL3340177

SCHEMBL3340177

C=CCN(CC=C)P(=O)(OC(C)C)OC(C)C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.36
ACHE P22303 1/20 0.36
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL23394983 0.77 ALDH1A1 (0.32) ALDH1A1
SCHEMBL7899491 0.70 CTSA (0.36) CTSAACHEALDH1A1KDM4EPOLB
SCHEMBL5399850 0.68 CTSA (0.39) CTSAACHEALDH1A1KDM4EPOLB
SCHEMBL423317 0.68 ALDH1A1 (0.39) ALDH1A1
SCHEMBL11312598 0.67 KDM4E (0.45) CTSAACHEALDH1A1KDM4EPOLB
SCHEMBL5399854 0.65 CTSA (0.36) CTSAACHEALDH1A1KDM4EPOLB
SCHEMBL11279635 0.65 CTSA (0.36) CTSAACHEALDH1A1KDM4EPOLB
SCHEMBL9701526 0.65 CTSA (0.36) CTSAACHEALDH1A1KDM4EPOLB
SCHEMBL4905870 0.64 CTSA (0.43) CTSAACHEALDH1A1KDM4EPOLB
SCHEMBL4212873 0.64 ALDH1A1 (0.36) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2096116-B1 SODIUM SALT OF DISACCHARIDE COMPOUND, METHOD FOR PRODUCING THE SAME, AND USE OF THE SAME EISAI R&D MAN CO LTD (JP) 2012-08-15 EP disclosed
US-20100152429-A1 SODIUM SALT OF DISACCHARIDE COMPOUND, METHOD FOR PRODUCING THE SAME, AND USE OF THE SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-06-17 US disclosed
EP-2096116-A1 SODIUM SALT OF DISACCHARIDE COMPOUND, METHOD FOR PRODUCING THE SAME, AND USE OF THE SAME Eisai R&D Management Co., Ltd. (JP) 2009-09-02 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-20100152429-A1 SODIUM SALT OF DISACCHARIDE COMPOUND, METHOD FOR PRODUCING THE SAME, AND USE OF THE SAME MAN2B2, MAN2A1, MAN2B1 CTSA 1804/4885ACHE 941/4885ALDH1A1 1793/4885

“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.