SCHEMBL1149696

SCHEMBL1149696

CCC(=O)OC1C(OC(=O)CC)C(OC(=O)CC)C(OC(=O)CC)C(OC(=O)CC)C1OC(=O)CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
NAAA Q02083 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
FFAR3 O14843 1/20 0.37
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
SOAT1 P35610 1/20 0.35
HIF1A Q16665 3/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
WRN Q14191 1/20 0.33
ESR1 P03372 2/20 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
SCHEMBL12858644 1.00 ALDH1A1 (0.41) ALDH1A1CHRM2CHRM4CHRM1CHRM3
SCHEMBL3653769 0.87 GBA1 (0.34) ALDH1A1CHRM2CHRM4CHRM1CHRM3
SCHEMBL23169855 0.82 CHRM2 (0.33) ALDH1A1CHRM2CHRM4CHRM1CHRM3
SCHEMBL3086364 0.82 ITPR3 (0.46)
SCHEMBL3073446 0.82 ITPR3 (0.46)
SCHEMBL13935174 0.78 HSD17B10 (0.33) TDP1HSD17B10
SCHEMBL20581531 0.77 MAPT (0.36) LGALS8
SCHEMBL21615904 0.77 CA9 (0.34) LGALS8
SCHEMBL22076357 0.77 MAPT (0.36) LGALS8
SCHEMBL22076516 0.77 CA9 (0.34) LGALS8

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-20110028719-A1 SCREENING METHODS FOR AMYLOID BETA MODULATORS WARATAH PHARMACEUTICALS INC. (CA) 2011-02-03 US disclosed
WO-2007134449-A1 SCREENING METHODS FOR AMYLOID BETA MODULATORS WARATAH PHARMACEUTICALS INC. (CA) 2007-11-29 WO 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-20110028719-A1 SCREENING METHODS FOR AMYLOID BETA MODULATORS APP, BACE1, IAPP ALDH1A1 4135/4885CHRM2 1029/4885CHRM4 993/4885

“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.