Bromide

Bromide

SCHEMBL829707

CCOCC[N+]1(C)CCOCC1.[Br-]

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1

The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 1/20 0.45
PABPC1 P11940 2/20 0.41
CTDSP1 Q9GZU7 2/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
APOBEC3A P31941 3/20 0.39
APOBEC3G Q9HC16 3/20 0.39
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL3306398 0.98 CDC25A (0.46) CDC25APABPC1CTDSP1CHRNB2CHRNB4
SCHEMBL4899622 0.84 CDC25A (0.49) CDC25APABPC1CTDSP1CHRNB2CHRNB4
SCHEMBL4898482 0.83 KDM4E (0.43) CDC25AKDM4EALDH1A1
SCHEMBL4904773 0.81 CDC25A (0.54) CDC25APABPC1CTDSP1CHRNB2CHRNB4
Methoxyacetic Acid SCHEMBL17418718 0.80 CDC25A (0.44) CDC25APABPC1CTDSP1CHRNB2CHRNB4
SCHEMBL17418373 0.80 CDC25A (0.41) CDC25APABPC1CTDSP1CHRNB2CHRNB4
Bromide SCHEMBL830831 0.79 KDM4E (0.57) CDC25APABPC1CTDSP1CHRNB2CHRNB4
SCHEMBL4901862 0.79 HTT (0.33) CDC25ACTDSP1HTTALDH1A1
SCHEMBL372426 0.79 KDM4E (0.56) CDC25ACTDSP1CHRNB2CHRNB4CHRNA3
SCHEMBL20365995 0.78 KDM4E (0.47) CDC25APABPC1CTDSP1CHRNB2CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2089414-B1 USE OF IONIC LIQUIDS FOR MEMBRANE PROTEIN EXTRACTION MERCK PATENT GMBH (DE) 2013-03-06 EP claimed
US-8143381-B2 Use of ionic liquids for membrane protein extraction MERCK PATENT GMBH (DE) 2012-03-27 US claimed
US-20100029917-A1 USE OF IONIC LIQUIDS FOR MEMBRANE PROTEIN EXTRACTION MERCK PATENT GMBH (DE) 2010-02-04 US claimed
EP-2089414-A1 USE OF IONIC LIQUIDS FOR MEMBRANE PROTEIN EXTRACTION Merck Patent GmbH (DE) 2009-08-19 EP claimed
WO-2008058604-A1 USE OF IONIC LIQUIDS FOR MEMBRANE PROTEIN EXTRACTION MERCK PATENT GMBH (DE) 2008-05-22 WO claimed
EP-2089414-B1 USE OF IONIC LIQUIDS FOR MEMBRANE PROTEIN EXTRACTION MERCK PATENT GMBH (DE) 2013-03-06 EP disclosed
US-8143381-B2 Use of ionic liquids for membrane protein extraction MERCK PATENT GMBH (DE) 2012-03-27 US disclosed
US-20100029917-A1 USE OF IONIC LIQUIDS FOR MEMBRANE PROTEIN EXTRACTION MERCK PATENT GMBH (DE) 2010-02-04 US disclosed
EP-2089414-A1 USE OF IONIC LIQUIDS FOR MEMBRANE PROTEIN EXTRACTION Merck Patent GmbH (DE) 2009-08-19 EP disclosed
WO-2008058604-A1 USE OF IONIC LIQUIDS FOR MEMBRANE PROTEIN EXTRACTION MERCK PATENT GMBH (DE) 2008-05-22 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-20100029917-A1 USE OF IONIC LIQUIDS FOR MEMBRANE PROTEIN EXTRACTION APMAP, VAMP8, VAMP7 CDC25A 4145/4885PABPC1 1899/4885CTDSP1 4581/4885

“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.