SCHEMBL2290985

SCHEMBL2290985

CCCCCCCCOS(=O)(=O)[O-].COCCOCCOC(=O)Cn1cc[n+](C)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
EPHX2 P34913 1/20 0.39
BLM P54132 1/20 0.39
OPRD1 P41143 2/20 0.32
ABCB11 O95342 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADRA2B P18089 1/20 0.32
SCN5A Q14524 1/20 0.32
APAF1 O14727 5/20 0.31
USP2 O75604 5/20 0.31
KMT2A Q03164 5/20 0.31
MEN1 O00255 4/20 0.31
HSP90AA1 P07900 2/20 0.31
UBE2N P61088 2/20 0.31
RAD52 P43351 2/20 0.31
NTSR1 P30989 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
SCHEMBL2291024 0.94 RECQL (0.40) RECQLGLAHPGDTSHRMAPK1
SCHEMBL2291020 0.85 RECQL (0.38) RECQLGLAHPGDTSHRMAPK1
SCHEMBL18203202 0.84 ACHE (0.41) TSHROPRD1ABCB11CYP3A4ADRA2B
SCHEMBL2296044 0.83 RECQL (0.41) RECQLGLAHPGDTSHRMAPK1
Bromide SCHEMBL2291733 0.82 ACHE (0.40) TSHROPRD1ABCB11CYP3A4ADRA2B
SCHEMBL18203215 0.81 ACHE (0.39) TSHRAPAF1USP2KMT2AMEN1
SCHEMBL2293827 0.81 RECQL (0.43) RECQLGLAHPGDTSHRMAPK1
SCHEMBL2288586 0.81 RECQL (0.39) RECQLGLAHPGDTSHRMAPK1
Bromide SCHEMBL2292261 0.80 ACHE (0.39) TSHRAPAF1USP2KMT2AMEN1
SCHEMBL2293066 0.80 RECQL (0.40) 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 5 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 claimed
US-8541598-B2 Biodegradable solvents for the chemical industry DUBLIN CITY UNIVERSITY (IE) 2013-09-24 US claimed
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.