SCHEMBL5689276

SCHEMBL5689276

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
USP2 O75604 1/20 0.42
SLCO1B1 Q9Y6L6 1/20 0.42
KDM4E B2RXH2 2/20 0.35
PDE4A P27815 1/20 0.35
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
BLM P54132 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
TOP1 P11387 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
SCHEMBL3975809 0.79
SCHEMBL9938062 0.77 LMNA (0.52) LMNAL3MBTL1TDP1USP2SLCO1B1
SCHEMBL4282650 0.77 SLC6A2 (0.41) LMNAL3MBTL1TDP1USP2SLCO1B1
Sorbitol SCHEMBL5050896 0.73 LMNA (0.69) LMNAL3MBTL1TDP1USP2SLCO1B1
Mannitol SCHEMBL22075548 0.73 LMNA (0.69) LMNAL3MBTL1TDP1USP2SLCO1B1
SCHEMBL16153889 0.72 LMNA (0.58) LMNAL3MBTL1TDP1USP2SLCO1B1
SCHEMBL14411837 0.72 LMNA (0.58) LMNAL3MBTL1TDP1USP2SLCO1B1
SCHEMBL16153910 0.72 LMNA (0.58) LMNAL3MBTL1TDP1USP2SLCO1B1
SCHEMBL9258595 0.72 LMNA (0.58) LMNAL3MBTL1TDP1USP2SLCO1B1
SCHEMBL15476270 0.72 TDP1 (0.63) LMNAL3MBTL1TDP1USP2SLCO1B1

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
EP-1637038-A2 N,N'-dialkyl derivatives of polyhydroxyalkyl alkylenediamines AIR PRODUCTS AND CHEMICALS, INC. (US) 2006-03-22 EP disclosed
US-20060013780-A1 N,N'-dialkyl derivatives of polyhydroxyalkyl alkylenediamines AIR PRODUCTS AND CHEMICALS, INC. 2006-01-19 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-20060013780-A1 N,N'-dialkyl derivatives of polyhydroxyalkyl alkylenediamines AGL, SFN, MGAT1 LMNA 492/4885L3MBTL1 2608/4885TDP1 1641/4885

“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.