SCHEMBL11982016

SCHEMBL11982016

CC(C)(CO)CC(C)(C)CNC(=O)O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
FFAR1 O14842 1/20 0.31
CPT2 P23786 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 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
SCHEMBL1979548 0.89 SMN1; SMN2 (0.38) SMN1; SMN2HSD17B10CYP2D6CYP2C19ALDH1A1
SCHEMBL22662408 0.81 SMN1; SMN2 (0.33) SMN1; SMN2HSD17B10CYP2D6CYP2C19
SCHEMBL11982017 0.81 KDM4E (0.43) SMN1; SMN2HSD17B10CYP2D6CYP2C19
SCHEMBL21813306 0.75 CYP2D6 (0.37) CYP2D6CYP2C19
SCHEMBL6729276 0.75 SMN1; SMN2 (0.38) SMN1; SMN2HSD17B10CYP2D6CYP2C19ALDH1A1
SCHEMBL19561380 0.74 CYP2D6 (0.48) SMN1; SMN2HSD17B10CYP2D6CYP2C19FFAR1
SCHEMBL12104004 0.74
SCHEMBL24052902 0.73 SMN1; SMN2 (0.36) SMN1; SMN2HSD17B10ALDH1A1HTTTSHR
SCHEMBL6730282 0.73 ALDH1A1 (0.38) SMN1; SMN2HSD17B10CYP2D6CYP2C19ALDH1A1
SCHEMBL18630868 0.73 CYP2D6 (0.36) SMN1; SMN2CYP2D6CYP2C19ALDH1A1

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-10835608-B2 Polymer-carbohydrate conjugates for drug delivery technology LIPOSEUTICALS INC 2020-11-17 US disclosed
US-9175027-B2 Polymer-carbohydrate-lipid conjugates LIPOSEUTICALS, INC. 2015-11-03 US disclosed
US-20120202979-A1 POLYMER-CARBOHYDRATE-LIPID CONJUGATES LIPOSEUTICALS, INC. 2012-08-09 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-10835608-B2 Polymer-carbohydrate conjugates for drug delivery technology LIPC, FABP4, CETP SMN1; SMN2 3875/4885HSD17B10 147/4885CYP2D6 86/4885
US-20120202979-A1 POLYMER-CARBOHYDRATE-LIPID CONJUGATES LIPC, FUT6, UGCG SMN1; SMN2 4271/4885HSD17B10 157/4885CYP2D6 408/4885

“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.