SCHEMBL4908443

SCHEMBL4908443

CCOC(=O)C(Br)C(OC(C)=O)C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
LMNA P02545 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TRPA1 O75762 1/20 0.37
TSHR P16473 4/20 0.36
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SOAT1 P35610 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PIN1 Q13526 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 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
SCHEMBL31651626 1.00 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10TRPA1TSHR
SCHEMBL10011840 0.87 ALDH1A1 (0.55) ALDH1A1LMNAHSD17B10TRPA1TSHR
SCHEMBL6895190 0.81 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10TRPA1TSHR
SCHEMBL22144315 0.79 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10TRPA1ALOX15
SCHEMBL1415615 0.79 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10TRPA1ALOX15
SCHEMBL9838594 0.78 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10TRPA1TSHR
SCHEMBL19359821 0.78 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10TRPA1TSHR
SCHEMBL18924722 0.75 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10TSHRALOX15
SCHEMBL7591223 0.75 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10TSHRALOX15
SCHEMBL22844448 0.73 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10TSHRALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8013014-B2 Aza-peptide epoxides GEORGIA TECH RESEARCH CORPORATION (US) 2011-09-06 US disclosed
US-20080227806-A1 Novel Drugs for Dementia AMERICAN LIFE SCIENCE PHARMACEUTICALS (US) 2008-09-18 US disclosed
US-20080227806-A1 Novel Drugs for Dementia AMERICAN LIFE SCIENCE PHARMACEUTICALS (US) 2008-09-18 US disclosed
WO-2007038772-A1 NOVEL DRUGS FOR DEMENTIA AMERICAN LIFE SCIENCE PHARMACEUTICALS (US) 2007-04-05 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-20080227806-A1 Novel Drugs for Dementia CTSS, PRSS1, CBS ALDH1A1 2533/4885LMNA 4686/4885HSD17B10 1334/4885

“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.