SCHEMBL10032812

SCHEMBL10032812

CC1(C)OCC(COC(=O)C(=O)Cl)O1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.50
ALDH1A1 P00352 2/20 0.44
TMEM97 Q5BJF2 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
NPSR1 Q6W5P4 1/20 0.36
F10 P00742 1/20 0.35
HTR7 P34969 1/20 0.35
DGAT1 O75907 1/20 0.33
KCNJ5 P48544 1/20 0.32
KCNJ3 P48549 1/20 0.32
APP P05067 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.31
NAMPT P43490 2/20 0.31

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
SCHEMBL10032800 0.87 CA2 (0.53) CA2ALDH1A1TMEM97SIGMAR1NPSR1
SCHEMBL1922788 0.87 CA2 (0.53) CA2ALDH1A1TMEM97SIGMAR1NPSR1
SCHEMBL10032797 0.84 CA2 (0.54) CA2ALDH1A1TMEM97SIGMAR1NPSR1
SCHEMBL14470792 0.84 ALDH1A1 (0.65) CA2ALDH1A1TMEM97SIGMAR1NPSR1
SCHEMBL378537 0.84 ALDH1A1 (0.65) CA2ALDH1A1TMEM97SIGMAR1NPSR1
SCHEMBL6943821 0.83 CA2 (0.56) CA2ALDH1A1TMEM97SIGMAR1NPSR1
SCHEMBL18395904 0.83 CA2 (0.56) CA2ALDH1A1TMEM97SIGMAR1NPSR1
SCHEMBL461346 0.83 CA2 (0.56) CA2ALDH1A1TMEM97SIGMAR1NPSR1
SCHEMBL6575404 0.83 CA2 (0.56) CA2ALDH1A1TMEM97SIGMAR1NPSR1
SCHEMBL18395905 0.81 CA2 (0.54) CA2ALDH1A1TMEM97SIGMAR1NPSR1

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-8124793-B2 Derivatives of ethylene methanedisulfonate as cancer chemotherapeutic agents CRONYN MARSHALL W (US) 2012-02-28 US disclosed
US-20090176805-A1 DERIVATIVES OF ETHYLENE METHANEDISULFONATE AS CANCER CHEMOTHERAPEUTIC AGENTS CRONYN MARSHALL W 2009-07-09 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 (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-20090176805-A1 DERIVATIVES OF ETHYLENE METHANEDISULFONATE AS CANCER CHEMOTHERAPEUTIC AGENTS MGMT, ETV6, EI24 CA2 3240/4885ALDH1A1 2643/4885TMEM97 2889/4885

“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.