SCHEMBL9934809

SCHEMBL9934809

CCC=C(OCC)C(=O)ON

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.39
ALDH1A1 P00352 6/20 0.37
NPSR1 Q6W5P4 1/20 0.36
GLO1 Q04760 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 2/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SOAT1 P35610 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP1A2 P05177 1/20 0.32
TRPA1 O75762 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.31
CYP2C9 P11712 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
SCHEMBL27715620 0.85 NPSR1 (0.45) ALOX15ALDH1A1NPSR1GLO1LMNA
SCHEMBL20210965 0.81 MGAM (0.31) GAAMGAMSIMGAM2
SCHEMBL27490028 0.81 GAA (0.41) ALOX15ALDH1A1NPSR1GLO1LMNA
SCHEMBL1135174 0.78 ALOX15 (0.48) ALOX15ALDH1A1NPSR1GLO1LMNA
SCHEMBL27656796 0.78 ALOX15 (0.48) ALOX15ALDH1A1NPSR1GLO1LMNA
SCHEMBL11412169 0.78 ALDH1A1 (0.36) ALOX15ALDH1A1NPSR1GLO1LMNA
SCHEMBL15912663 0.78 ALDH1A1 (0.36) ALOX15ALDH1A1NPSR1GLO1LMNA
SCHEMBL1603810 0.78 ALDH1A1 (0.36) ALOX15ALDH1A1NPSR1GLO1LMNA
Acrylic Acid SCHEMBL22389526 0.76 HCAR2 (0.39) ALOX15ALDH1A1NPSR1GLO1LMNA
SCHEMBL3308061 0.76 TSHR (0.36) ALOX15ALDH1A1NPSR1GLO1LMNA

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-9249179-B2 Galactose cluster-pharmacokinetic modulator targeting moiety for siRNA Arrowhead Madison Inc. (US) 2016-02-02 US disclosed
US-20120157509-A1 GALACTOSE CLUSTER-PHARMACOKINETIC MODULATOR TARGETING MOIETY FOR siRNA ARROWHEAD RESEARCH CORPORATION 2012-06-21 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-20120157509-A1 GALACTOSE CLUSTER-PHARMACOKINETIC MODULATOR TARGETING MOIETY FOR siRNA GALK1, GALE, GALNT6 ALOX15 3579/4885ALDH1A1 1838/4885NPSR1 1507/4885

“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.