Benzyl Bromide

Benzyl Bromide

SCHEMBL3764294

BrCc1ccccc1.CI

nearest known ligand 0.82

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.82
TSHR P16473 4/20 0.82
TRPA1 O75762 1/20 0.82
TDP1 Q9NUW8 2/20 0.50
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
CASP1 P29466 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CALM1 P0DP23 1/20 0.45
IDO1 P14902 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
KDM4E B2RXH2 2/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
MAOB P27338 1/20 0.39
MAOA P21397 1/20 0.39

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 SCHEMBL5757393 0.91 TSHR (1.00) ALDH1A1TSHRTRPA1TDP1CES2
SCHEMBL20389321 0.91 TSHR (1.00) ALDH1A1TSHRTRPA1TDP1CES2
Benzyl Bromide SCHEMBL5964841 0.91
Benzyl Bromide SCHEMBL1331189 0.91
Benzyl Bromide SCHEMBL9000955 0.91 TSHR (1.00) ALDH1A1TSHRTRPA1TDP1CES2
Benzyl Bromide SCHEMBL1066 0.91
Benzyl Bromide SCHEMBL28763610 0.88 ALDH1A1 (0.82) ALDH1A1TSHRTRPA1TDP1CES2
Benzyl Bromide SCHEMBL4313280 0.88
Benzyl Bromide SCHEMBL128357 0.88
Benzyl Bromide SCHEMBL905931 0.88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109970760-A ACC inhibitor and its purposes 吉利德阿波罗公司 2019-07-05 CN disclosed
CN-106905346-B ACC inhibitor and its purposes 吉利德阿波罗公司 2019-05-28 CN disclosed
US-20100317575-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PYRAZOLE-O-GLUCOSIDE DERIVATIVE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-16 US disclosed
EP-2124970-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PYRAZOLE-O-GLUCOSIDE DERIVATIVE Boehringer Ingelheim International GmbH (DE) 2009-12-02 EP disclosed
WO-2008087198-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PYRAZOLE-O-GLUCOSIDE DERIVATIVE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-24 WO disclosed
EP-1912656-A2 METHODS FOR PREVENTING AND TREATING METABOLIC DISORDERS AND NEW PYRAZOLE-O-GLYCOSIDE DERIVATIVES Boehringer Ingelheim International GmbH (DE) 2008-04-23 EP disclosed
US-20070072813-A1 Methods for preventing and treating metabolic disorders and new pyrazole-O-glycoside derivatives AJINOMOTO CO., INC. (JP) 2007-03-29 US disclosed
WO-2007014895-A2 METHODS FOR PREVENTING AND TREATING METABOLIC DISORDERS AND NEW PYRAZOLE-O-GLYCOSIDE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-08 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 (2 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-20070072813-A1 Methods for preventing and treating metabolic disorders and new pyrazole-O-glycoside derivatives IAPP, G6PC1, GPR119 ALDH1A1 459/4885TSHR 2410/4885TRPA1 3758/4885
US-20100317575-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PYRAZOLE-O-GLUCOSIDE DERIVATIVE SLC5A1, SLC5A2, G6PC1 ALDH1A1 420/4885TSHR 4240/4885TRPA1 3274/4885

“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.