SCHEMBL1968318

SCHEMBL1968318

C=CCc1ccc[n+](CC=C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.43
HDAC4 P56524 1/20 0.42
LMNA P02545 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CYP3A4 P08684 2/20 0.33
XDH P47989 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CNR2 P34972 2/20 0.32
PPARG P37231 2/20 0.32
PPARD Q03181 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH2 P05091 1/20 0.32
GAA P10253 1/20 0.32
GABRA1 P14867 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
Bromide SCHEMBL14811828 0.98 HDAC1 (0.42) HDAC1HDAC4LMNAALDH1A1CYP3A4
SCHEMBL5129868 0.93 HDAC1 (0.39) HDAC1HDAC4LMNAALDH1A1CYP3A4
SCHEMBL5133383 0.86 HDAC1 (0.35) HDAC1HDAC4CNR2
SCHEMBL15174678 0.83 HDAC1 (0.42) HDAC1HDAC4LMNATSHRKDM4E
SCHEMBL5130972 0.83 HDAC1 (0.33) HDAC1HDAC4CNR2
SCHEMBL5133137 0.79 HDAC1 (0.31) HDAC1HDAC4
SCHEMBL9331889 0.77 HDAC1 (0.33) HDAC1HDAC4KDM4EBCHEACHE
SCHEMBL2730865 0.75 ALDH1A1 (0.42) ALDH1A1CYP3A4XDHTP53ALOX15
SCHEMBL15174190 0.74 PABPC1 (0.44) LMNAALDH1A1KDM4EKMT2A
SCHEMBL16109052 0.74 ALDH1A1 (0.34) HDAC1HDAC4ALDH1A1CYP3A4XDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2759016-B1 ADDITIVES FOR HYDROGEN/ BROMINE CELLS BROMINE COMPOUNDS LTD (IL) 2017-03-29 EP claimed
EP-2953930-B1 PROCESSES FOR PREPARING 1-ALKYL-3-ALKYL-PYRIDINIUM BROMIDE AND USES THEREOF AS ADDITIVES IN ELECTROCHEMICAL CELLS BROMINE COMPOUNDS LTD (IL) 2016-12-07 EP claimed
US-20080038123-A1 Processing and/or operating machine comprising an ionic liquid as the operating liquid MERCK PATENT GMBH (DE) 2008-02-14 US claimed
CN-111418092-B Nanostructured composite electrode 科技创新动量基金(以色列)参股有限公司 2023-07-28 CN disclosed
CN-106083710-B Process for the synthesis of halogenated cyclic compounds 索尔维公司 2021-03-12 CN disclosed
EP-2334645-B1 PROCESS FOR THE SYNTHESIS OF FLUORINATED CYCLIC COMPOUNDS SOLVAY (BE) 2019-11-06 EP disclosed
US-8981115-B2 Process for the synthesis of halogenated cyclic compounds SOLVAY SA (BE) 2015-03-17 US disclosed
US-20130237710-A1 Process for the synthesis of halogenated cyclic compounds SOLVAY SA (BE) 2013-09-12 US disclosed
US-8431710-B2 Process for the synthesis of halogenated cyclic compounds SOLVAY SA (BE) 2013-04-30 US disclosed
US-20110178297-A1 Process for the synthesis of halogenated cyclic compounds SOLVAY SA (BE) 2011-07-21 US disclosed
EP-2334645-A1 PROCESS FOR THE SYNTHESIS OF HALOGENATED CYCLIC COMPOUNDS Solvay SA (BE) 2011-06-22 EP disclosed
WO-2010037688-A1 PROCESS FOR THE SYNTHESIS OF HALOGENATED CYCLIC COMPOUNDS SOLVAY SA (BE) 2010-04-08 WO disclosed
EP-1644331-B1 A METHOD FOR PRODUCING 1,3-DIALKYLPYRIDINIUM OLIGOMERS AND RELATED COMPOUNDS USING A SOLID SUPPORT UNIV ABERDEEN (GB) 2008-02-20 EP disclosed
US-20080038123-A1 Processing and/or operating machine comprising an ionic liquid as the operating liquid MERCK PATENT GMBH (DE) 2008-02-14 US disclosed
US-20060217558-A1 Method for producing 1, 3-dialkylpyridinium oligomers and related compounds using a solid support ABERDEEN UNIVERSITY (GB) 2006-09-28 US disclosed
US-20060217558-A1 Method for producing 1, 3-dialkylpyridinium oligomers and related compounds using a solid support ABERDEEN UNIVERSITY (GB) 2006-09-28 US disclosed
EP-1644331-A1 A METHOD FOR PRODUCING 1,3-DIALKYLPYRIDINIUM OLIGOMERS AND RELATED COMPOUNDS USING A SOLID SUPPORT ABERDEEN UNIVERSITY (GB) 2006-04-12 EP disclosed
WO-2004113299-A1 A METHOD FOR PRODUCING 1, 3-DIALKYLPYRIDINIUM OLIGOMERS AND RELATED COMPOUNDS USING A SOLID SUPPORT ABERDEEN UNIVERSITY (GB) 2004-12-29 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 (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-20110178297-A1 Process for the synthesis of halogenated cyclic compounds CCNL2, AOC2, CCNY HDAC1 1967/4885HDAC4 2997/4885LMNA 1817/4885
US-20130237710-A1 Process for the synthesis of halogenated cyclic compounds CCNL2, AOC2, CCNY HDAC1 1967/4885HDAC4 2997/4885LMNA 1817/4885
US-20060217558-A1 Method for producing 1, 3-dialkylpyridinium oligomers and related compounds using a solid support NCKAP1L, ATXN2L, RAD54L HDAC1 4321/4885HDAC4 2797/4885LMNA 2430/4885

“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.