SCHEMBL2292204

SCHEMBL2292204

CCOC(C)OC(=O)C[n+]1ccn(C)c1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
HSP90AA1 P07900 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 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
Bromide SCHEMBL2296160 0.99 MEN1 (0.35) MEN1HSP90AA1KMT2ASMN1; SMN2
Bromide SCHEMBL186227 0.90 MEN1 (0.32) MEN1HSP90AA1KMT2ASMN1; SMN2
Bromide SCHEMBL2291326 0.88 MEN1 (0.36) MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL2290259 0.84 MEN1 (0.31) MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL19500108 0.83 TSHR (0.34) MEN1HSP90AA1KMT2ASMN1; SMN2LMNA
Bromide SCHEMBL2296148 0.83 MEN1 (0.33) MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL2293237 0.83 MEN1 (0.33) MEN1HSP90AA1KMT2ASMN1; SMN2
Bromide SCHEMBL187496 0.82 MEN1 (0.32) MEN1KMT2A
Bromide SCHEMBL2289755 0.82 MEN1 (0.34) MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL15896752 0.82 MEN1 (0.33) MEN1HSP90AA1KMT2ASMN1; SMN2

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
EP-2183220-B1 BIODEGRADABLE SOLVENTS FOR THE CHEMICAL INDUSTRY UNIV DUBLIN CITY (IE) 2016-11-09 EP disclosed
US-20110201824-A1 BIODEGRADABLE SOLVENTS FOR THE CHEMICAL INDUSTRY DUBLIN CITY UNIVERSITY (IE) 2011-08-18 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-20110201824-A1 BIODEGRADABLE SOLVENTS FOR THE CHEMICAL INDUSTRY TIMM9, B2M, TIMM44 MEN1 3355/4885HSP90AA1 1155/4885KMT2A 3862/4885

“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.