SCHEMBL11600765

SCHEMBL11600765

CCCCOCCOC(=O)CBr

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
TRPA1 O75762 1/20 0.50
FAAH O00519 2/20 0.49
CYP2C19 P33261 1/20 0.48
DGKA P23743 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 3/20 0.45
NAAA Q02083 1/20 0.44
CYP3A4 P08684 1/20 0.44
RARB P10826 1/20 0.41
ATM Q13315 1/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
CES2 O00748 1/20 0.38
HPGD P15428 1/20 0.38
ACHE P22303 1/20 0.38
RAD52 P43351 1/20 0.38

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
SCHEMBL12380388 1.00 ALDH1A1 (0.50) ALDH1A1TRPA1FAAHCYP2C19DGKA
SCHEMBL1032849 0.92 FAAH (0.59) ALDH1A1TRPA1FAAHCYP2C19DGKA
SCHEMBL20896970 0.92 FAAH (0.59) ALDH1A1TRPA1FAAHCYP2C19DGKA
SCHEMBL12380378 0.88 ALDH1A1 (0.54) ALDH1A1TRPA1FAAHCYP2C19DGKA
SCHEMBL12380386 0.88 ALDH1A1 (0.54) ALDH1A1TRPA1FAAHCYP2C19DGKA
SCHEMBL362068 0.87
SCHEMBL15616858 0.85 CYP2C19 (0.56) ALDH1A1TRPA1FAAHCYP2C19DGKA
SCHEMBL14273796 0.85 CYP2C19 (0.56) ALDH1A1TRPA1FAAHCYP2C19DGKA
SCHEMBL1302517 0.83 DGKA (0.63) ALDH1A1DGKATSHRNAAACYP3A4
SCHEMBL181382 0.83 NAAA (0.63) ALDH1A1FAAHDGKATSHRNAAA

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 9 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
US-4123443-A Process for the preparation of bromoacetic acid and esters thereof KATAYAMA CHEMICAL WORKS CO., LTD. (JP) 1978-10-31 US disclosed
US-3995641-A Surgical adhesives ETHICON, INC. (US) 1976-12-07 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 ALDH1A1 1385/4885TRPA1 2076/4885FAAH 3400/4885

“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.