SCHEMBL12380378

SCHEMBL12380378

CCCOCCOC(=O)CBr

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
TRPA1 O75762 2/20 0.54
CYP2C19 P33261 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
FAAH O00519 2/20 0.43
DGKA P23743 1/20 0.42
TSHR P16473 3/20 0.40
NAAA Q02083 1/20 0.38
TP53 P04637 2/20 0.35
HIF1A Q16665 2/20 0.35
HSD17B10 Q99714 1/20 0.35
THRB P10828 1/20 0.35
EPHX2 P34913 1/20 0.33
RAD52 P43351 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ACHE P22303 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32

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
SCHEMBL12380386 1.00 ALDH1A1 (0.54) ALDH1A1TRPA1CYP2C19L3MBTL1FAAH
SCHEMBL14273796 0.89 CYP2C19 (0.56) ALDH1A1TRPA1CYP2C19L3MBTL1FAAH
SCHEMBL15616858 0.89 CYP2C19 (0.56) ALDH1A1TRPA1CYP2C19L3MBTL1FAAH
SCHEMBL12380388 0.88 ALDH1A1 (0.50) ALDH1A1TRPA1CYP2C19L3MBTL1FAAH
SCHEMBL11600765 0.88 ALDH1A1 (0.50) ALDH1A1TRPA1CYP2C19L3MBTL1FAAH
SCHEMBL2288218 0.87 ALDH1A1 (0.60) ALDH1A1TRPA1CYP2C19L3MBTL1FAAH
SCHEMBL140522 0.86
SCHEMBL5676032 0.84 ALDH1A1 (0.62) ALDH1A1TRPA1CYP2C19L3MBTL1FAAH
SCHEMBL20896970 0.84 FAAH (0.59) ALDH1A1TRPA1CYP2C19L3MBTL1FAAH
SCHEMBL1032849 0.84 FAAH (0.59) ALDH1A1TRPA1CYP2C19L3MBTL1FAAH

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 7 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
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-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
US-20110201824-A1 BIODEGRADABLE SOLVENTS FOR THE CHEMICAL INDUSTRY DUBLIN CITY UNIVERSITY (IE) 2011-08-18 US disclosed
WO-2009024607-A1 BIODEGRADABLE SOLVENTS FOR THE CHEMICAL INDUSTRY DUBLIN CITY UNIVERSITY (IE) 2009-02-26 WO 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 ALDH1A1 1385/4885TRPA1 2076/4885CYP2C19 413/4885

“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.