SCHEMBL11982017

SCHEMBL11982017

CC(C)(CN)CC(C)(C)CNC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
CYP2D6 P10635 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2C19 P33261 1/20 0.32

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
SCHEMBL4936016 0.89 KDM4E (0.48) KDM4ECYP2D6SMN1; SMN2HSD17B10CYP2C19
SCHEMBL26210949 0.83 KDM4E (0.39) KDM4ECYP2D6SMN1; SMN2HSD17B10
SCHEMBL11982016 0.81 SMN1; SMN2 (0.34) CYP2D6SMN1; SMN2HSD17B10CYP2C19
SCHEMBL22662408 0.79 SMN1; SMN2 (0.33) CYP2D6SMN1; SMN2HSD17B10CYP2C19
SCHEMBL17340220 0.79 KDM4E (0.35) KDM4ECYP2D6SMN1; SMN2HSD17B10
SCHEMBL16217809 0.77 TDP1 (0.42) KDM4E
SCHEMBL23394165 0.75 CYP2D6 (0.36) KDM4ECYP2D6
SCHEMBL24046889 0.74
Cyclohexanol SCHEMBL9499915 0.73 SMN1; SMN2 (0.45) KDM4ECYP2D6SMN1; SMN2HSD17B10
SCHEMBL6729276 0.73 SMN1; SMN2 (0.38) KDM4ECYP2D6SMN1; SMN2HSD17B10CYP2C19

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 KDM4E 1394/4885CYP2D6 86/4885SMN1; SMN2 3875/4885
US-20120202979-A1 POLYMER-CARBOHYDRATE-LIPID CONJUGATES LIPC, FUT6, UGCG KDM4E 2535/4885CYP2D6 408/4885SMN1; SMN2 4271/4885

“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.