SCHEMBL13104409

SCHEMBL13104409

CC(C)(COCC(C)(C)OP(=O)(O)O)CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
FFAR1 O14842 1/20 0.41
CPT2 P23786 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
BHMT Q93088 3/20 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
SCHEMBL13104035 0.83 SMPD1 (0.36) TDP1
SCHEMBL13104241 0.81 FFAR1 (0.42) KDM4EFFAR1CPT2TDP1HMGCR
SCHEMBL13104546 0.80 CYP2C9 (0.33)
SCHEMBL13104033 0.80 S1PR2 (0.33)
SCHEMBL2710896 0.79 HMGCR (0.42) KDM4EFFAR1CPT2TDP1HMGCR
SCHEMBL13104248 0.79 SMPD1 (0.33)
SCHEMBL13104036 0.77 SMPD1 (0.33) CYP2C19
SCHEMBL13104590 0.77 SMPD1 (0.33)
SCHEMBL17232567 0.76 KDM4E (0.65) KDM4EFFAR1CPT2TDP1HMGCR
SCHEMBL28626698 0.76 FFAR1 (0.48) KDM4EFFAR1CPT2TDP1HMGCR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256209-A1 COMPOSITIONS COMPRISING ETHER COMPOUNDS AND PHARMACEUTICAL USES THEREFOR ESPERION THERAPEUTICS, INC. 2010-10-07 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-20100256209-A1 COMPOSITIONS COMPRISING ETHER COMPOUNDS AND PHARMACEUTICAL USES THEREFOR GPR119, ECHS1, PNLIP KDM4E 1880/4885FFAR1 43/4885CPT2 93/4885

“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.