SCHEMBL2290464

SCHEMBL2290464

CCCCCCCCOS(=O)(=O)[O-].CCCOC(C)OC(=O)C[n+]1ccn(C)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
EPHX2 P34913 1/20 0.40
BLM P54132 1/20 0.40
MEN1 O00255 1/20 0.38
HSP90AA1 P07900 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FDPS P14324 10/20 0.30

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
SCHEMBL2796794 0.86 RECQL (0.46) RECQLGLAHPGDTSHRMAPK1
SCHEMBL2796075 0.84 RECQL (0.47) RECQLGLAHPGDTSHRMAPK1
Bromide SCHEMBL2291326 0.84 MEN1 (0.36) MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL2293237 0.80 MEN1 (0.33) MEN1HSP90AA1KMT2ASMN1; SMN2
Bromide SCHEMBL2289755 0.79 MEN1 (0.34) MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL2290460 0.78 RECQL (0.40) RECQLGLAHPGDTSHRMAPK1
SCHEMBL2859398 0.78 RECQL (0.55) RECQLGLAHPGDTSHRMAPK1
SCHEMBL4407977 0.78 RECQL (0.55) RECQLGLAHPGDTSHRMAPK1
SCHEMBL4415795 0.77 RECQL (0.54) RECQLGLAHPGDTSHRMAPK1
SCHEMBL4410517 0.77 RECQL (0.54) RECQLGLAHPGDTSHRMAPK1

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 3 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-8541598-B2 Biodegradable solvents for the chemical industry DUBLIN CITY UNIVERSITY (IE) 2013-09-24 US 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 RECQL 3900/4885GLA 2779/4885HPGD 409/4885

“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.