Benzyl Bromide

Benzyl Bromide

SCHEMBL1833786

BrCc1ccccc1.CN(C)C=O

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
TSHR P16473 3/20 0.61
TRPA1 O75762 1/20 0.61
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
AOC3 Q16853 2/20 0.40
TAAR1 Q96RJ0 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH7 P40394 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 1/20 0.37
LMNA P02545 1/20 0.36

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
Benzyl Bromide SCHEMBL9083018 0.96 TSHR (0.56) ALDH1A1TSHRTRPA1CES2CES1
Benzyl Bromide SCHEMBL438870 0.84 TSHR (0.78) ALDH1A1TSHRTRPA1CES2CES1
Dimethylformamide SCHEMBL8332170 0.82 TAAR1 (0.54) ALDH1A1TSHRAOC3TAAR1KMT2A
Ethylbenzene SCHEMBL14965882 0.80 TP53 (0.64) ALDH1A1TSHRAOC3TAAR1ADH1B
Benzyl Bromide SCHEMBL28246315 0.79 ALDH1A1 (0.70) ALDH1A1TSHRTRPA1CES2CES1
Benzyl Bromide SCHEMBL27306361 0.79 TSHR (0.70) ALDH1A1TSHRTRPA1CES2CES1
(Chloromethyl)Benzene SCHEMBL11863187 0.78 ALDH1A1 (0.43) ALDH1A1TSHRAOC3TAAR1TDP1
Benzyl Alcohol SCHEMBL28205107 0.78 TSHR (0.61) ALDH1A1TSHRCES2CES1AOC3
Benzyl Bromide SCHEMBL26117242 0.78 ALDH1A1 (0.61) ALDH1A1TSHRTRPA1CES2CES1
Benzyl Bromide SCHEMBL5757393 0.78 TSHR (1.00) ALDH1A1TSHRTRPA1CES2CES1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1405858-B1 PROCESS FOR PRODUCING SUGAR CHAIN ASPARAGINE DERIVATIVE GLYTECH INC (JP) 2013-01-02 EP disclosed
EP-2481746-A1 Process for producing sugar chain asparagine derivative Otsuka Chemical Co., Ltd. (JP) 2012-08-01 EP disclosed
US-8158763-B2 Lipophilic protected, asparagine-linked oligosaccharide derivative containing a fucose in N-acetylglucosamine on nonreducing terminal side Kajihara, Yasuhiro (JP) 2012-04-17 US disclosed
EP-2322533-A1 Process for producing sugar chain asparagine derivative Otsuka Chemical Co., Ltd. (JP) 2011-05-18 EP disclosed
US-20080214798-A1 Sugar chain asparagine derivatives, sugar chain asparagine, sugar chain and processes for producing these OTSUKA CHEMCIAL CO., LTD. (JP) 2008-09-04 US disclosed
US-7304148-B2 Sugar chain asparagine derivatives, sugar chain asparagine, sugar chain, and processes for producing these OTSUKA CHEMICAL CO., LTD. (JP) 2007-12-04 US disclosed
US-7135566-B2 Process for producing sugar chain asparagine derivative OTSUKA CHEMICAL CO., LTD. (JP) 2006-11-14 US disclosed
US-20060228784-A1 Sugar chain asparagine derivatives, sugar chain asparagine, sugar chain, and processes for producing these GLYTECH, INC (JP) 2006-10-12 US disclosed
US-20060166929-A1 Sugar-chain asparagine derivatives and processes for the preparation thereof OTSUKA CHEMICAL CO., LTD. (JP) 2006-07-27 US disclosed
EP-1577397-A1 SUGAR CHAIN ASPARAGINE DERIVATIVES, SUGAR CHAIN ASPARAGINE, SUGAR CHAIN, AND PROCESSES FOR PRODUCING THESE Kajihara, Yasuhiro (JP) 2005-09-21 EP disclosed
EP-1577316-A1 SUGAR-CHAIN ASPARAGINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Kajihara, Yasuhiro (JP) 2005-09-21 EP disclosed
US-20040181054-A1 Process for producing sugar chain asparagine derivative GLYTECH, INC. (JP) 2004-09-16 US disclosed
EP-1405858-A1 PROCESS FOR PRODUCING SUGAR CHAIN ASPARAGINE DERIVATIVE Otsuka Chemical Holdings Co., Ltd. (JP) 2004-04-07 EP 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 (3 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-20060228784-A1 Sugar chain asparagine derivatives, sugar chain asparagine, sugar chain, and processes for producing these FUT6, B3GNT2, FUT5 ALDH1A1 2454/4885TSHR 2537/4885TRPA1 4554/4885
US-20060166929-A1 Sugar-chain asparagine derivatives and processes for the preparation thereof ASNS, B3GNT2, FUT6 ALDH1A1 2206/4885TSHR 620/4885TRPA1 4853/4885
US-20080214798-A1 Sugar chain asparagine derivatives, sugar chain asparagine, sugar chain and processes for producing these FUT6, B3GNT2, FUT5 ALDH1A1 2534/4885TSHR 2361/4885TRPA1 4574/4885

“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.