SCHEMBL18239205

SCHEMBL18239205

CCOC(=O)OCc1coc(=O)o1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
COMT P21964 1/20 0.37
SOAT1 P35610 1/20 0.36
ELANE P08246 2/20 0.36
MAOB P27338 2/20 0.35
MIF P14174 1/20 0.35
PFKFB3 Q16875 1/20 0.35
MAOA P21397 1/20 0.35
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34
TYR P14679 3/20 0.33
LMNA P02545 1/20 0.33
CUL4A Q13619 2/20 0.33

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
SCHEMBL13504732 0.82 ALDH1A1 (0.53) ALDH1A1COMTELANETYR
SCHEMBL19413404 0.81 COMT (0.38) ALDH1A1COMTELANETYR
SCHEMBL27261485 0.78 TYR (0.41) ALDH1A1COMTELANEKMT2ATYR
SCHEMBL27261484 0.78 TYR (0.41) ALDH1A1COMTELANEKMT2ATYR
SCHEMBL27261486 0.78 TYR (0.41) ALDH1A1COMTELANEKMT2ATYR
SCHEMBL19710679 0.73 PPARG (0.40) ALDH1A1COMTTYR
SCHEMBL27599241 0.72 ALDH1A1 (0.56) ALDH1A1SOAT1MAOBKMT2AHSD17B10
SCHEMBL8687689 0.71 ALDH1A1 (0.67) ALDH1A1KMT2AKDM4ETSHRLMNA
SCHEMBL1332089 0.66
SCHEMBL1958756 0.66 ALDH1A1 (1.00) ALDH1A1SOAT1HSD17B10KDM4ETSHR

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-20160332984-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2016-11-17 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-20160332984-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB ALDH1A1 1089/4885COMT 216/4885SOAT1 2922/4885

“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.