Iodide

Iodide

SCHEMBL3857563

CCCCCCCCCCCC[P+](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1.[I-]

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG

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

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BDKRB2 P30411 6/20 0.59
▸ CSNK1E P49674 1/20 0.50
▸ DNM1 Q05193 4/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ HTT P42858 2/20 0.42

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
Iodide SCHEMBL5088352 1.00 BDKRB2 (0.59) BDKRB2CSNK1EDNM1KCNH2MEN1
Iodide SCHEMBL5088210 1.00 BDKRB2 (0.59) BDKRB2CSNK1EDNM1KCNH2MEN1
Iodide SCHEMBL5087228 1.00 BDKRB2 (0.59) BDKRB2CSNK1EDNM1KCNH2MEN1
Iodide SCHEMBL5088222 1.00 BDKRB2 (0.59) BDKRB2CSNK1EDNM1KCNH2MEN1
Iodide SCHEMBL5092116 1.00 BDKRB2 (0.59) BDKRB2CSNK1EDNM1KCNH2MEN1
Iodide SCHEMBL3861081 1.00 BDKRB2 (0.59) BDKRB2CSNK1EDNM1KCNH2MEN1
Iodide SCHEMBL5087915 1.00 BDKRB2 (0.59) BDKRB2CSNK1EDNM1KCNH2MEN1
Iodide SCHEMBL5091551 1.00 BDKRB2 (0.59) BDKRB2CSNK1EDNM1KCNH2MEN1
Iodide SCHEMBL5087211 0.98 BDKRB2 (0.61) BDKRB2CSNK1EDNM1KCNH2MEN1
Iodide SCHEMBL5091515 0.96 BDKRB2 (0.59) BDKRB2CSNK1EDNM1KCNH2MEN1

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9238606-B1 Methyl-Iodide-free carbonylation of methanol to acetaldehyde EASTMAN CHEMICAL COMPANY (US) 2016-01-19 — — US claimed
US-9718754-B2 Methyl-iodide-free carbonylation of an alcohol to its homologous aldehyde and/or alcohol EASTMAN CHEMICAL COMPANY (US) 2017-08-01 — — US disclosed
US-9714206-B2 Methyl-iodide-free carbonylation of an alcohol to its homologous aldehyde and/or alcohol EASTMAN CHEMICAL COMPANY (US) 2017-07-25 — — US disclosed
US-20160251292-A1 METHYL-IODIDE-FREE CARBONYLATION OF AN ALCOHOL TO ITS HOMOLOGOUS ALDEHYDE AND/OR ALCOHOL EASTMAN CHEMICAL COMPANY (US) 2016-09-01 — — US disclosed
US-20160185701-A1 METHYL-IODIDE-FREE CARBONYLATION OF AN ALCOHOL TO ITS HOMOLOGOUS ALDEHYDE AND/OR ALCOHOL EASTMAN CHEMICAL COMPANY (US) 2016-06-30 — — US disclosed
US-20160185700-A1 METHYL-IODIDE-FREE CARBONYLATION OF AN ALCOHOL TO ITS HOMOLOGOUS ALDEHYDE AND/OR ALCOHOL EASTMAN CHEMICAL COMPANY (US) 2016-06-30 — — US disclosed
US-9365479-B1 Methyl-iodide-free carbonylation of an alcohol to its homologous aldehyde and/or alcohol EASTMAN CHEMICAL COMPANY (US) 2016-06-14 — — US disclosed
US-9266807-B1 Conversion of alcohols to longer chain aldehydes or alcohols EASTMAN CHEMICAL COMPANY (US) 2016-02-23 — — US disclosed
US-9238606-B1 Methyl-Iodide-free carbonylation of methanol to acetaldehyde EASTMAN CHEMICAL COMPANY (US) 2016-01-19 — — US disclosed
EP-1501779-B1 CONTINUOUS CARBONYLATION PROCESS EASTMAN CHEM CO (US) 2009-12-23 — — EP disclosed
US-6201138-B1 CONTACTING A GAMMA, DELTA-EPOXYALKENE OR A GAMMA, DELTA-EPOXYCYCLOALKENE IN LIQUID PHASE WITH SOLUTION OF CATALYTIC AMOUNT OF ORGANOTIN (IV) OR ORGANOANTIMONY COMPOUND IN INERT ORGANIC SOLVENT AND QUATERNARY ORGANIC ONIUM IODIDE EASTMAN CHEMICAL COMPANY 2001-03-13 — — US disclosed
EP-0624157-B1 CONTINUOUS PROCESS FOR THE MANUFACTURE OF 2,5-DIHYDROFURANS FROM GAMMA,DELTA-EPOXYBUTENES EASTMAN CHEM CO (US) 1997-03-05 — — EP disclosed
US-5591874-A ISOMERIZATION OF VINYL ETHYLENE CARBONATE COMPOUND USING CATALYST SYSTEM COMPRISING ACIDIC AND HALOGEN COMPONENTS EASTMAN CHEMICAL COMPANY (US) 1997-01-07 — — US disclosed
EP-0518973-B1 ISOMERIZATION OF EPOXYALKENES TO 2,5-DIHYDROFURANS AND CATALYSTS COMPOSITIONS USEFUL THEREFOR EASTMAN CHEM CO (US) 1995-01-11 — — EP disclosed
EP-0624157-A1 CONTINUOUS PROCESS FOR THE MANUFACTURE OF 2,5-DIHYDROFURANS FROM -g(g),-g(d)-EPOXYBUTENES. EASTMAN CHEM CO (US) 1994-11-17 — — EP disclosed
US-5315019-A Continuous process for the manufacture of 2,5-dihydrofurans from γ, δ-epoxybutenes EASTMAN CHEMICAL COMPANY (US) 1994-05-24 — — US disclosed
WO-1993010111-A1 CONTINUOUS PROCESS FOR THE MANUFACTURE OF 2,5-DIHYDROFURANS FROM η,δ-EPOXYBUTENES EASTMAN KODAK COMPANY (US) 1993-05-27 — — WO disclosed
EP-0518973-A1 ISOMERIZATION OF EPOXYALKENES TO 2,5-DIHYDROFURANS AND CATALYSTS COMPOSITIONS USEFUL THEREFOR. EASTMAN KODAK CO (US) 1992-12-23 — — EP disclosed
US-5082956-A Quaternary onium iodide catalyst EASTMAN KODAK COMPANY (US) 1992-01-21 — — US disclosed
WO-1991013882-A1 ISOMERIZATION OF EPOXYALKENES TO 2,5-DIHYDROFURANS AND CATALYSTS COMPOSITIONS USEFUL THEREFOR EASTMAN KODAK COMPANY (US) 1991-09-19 — — 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-20160185701-A1 METHYL-IODIDE-FREE CARBONYLATION OF AN ALCOHOL TO ITS HOMOLOGOUS ALDEHYDE AND/OR ALCOHOL ADH1C, ADH5, ADH1A BDKRB2 4374/4885CSNK1E 1502/4885DNM1 3478/4885
US-20160251292-A1 METHYL-IODIDE-FREE CARBONYLATION OF AN ALCOHOL TO ITS HOMOLOGOUS ALDEHYDE AND/OR ALCOHOL ADH1C, ADH5, ADH1A BDKRB2 4280/4885CSNK1E 1480/4885DNM1 3463/4885
US-20160185700-A1 METHYL-IODIDE-FREE CARBONYLATION OF AN ALCOHOL TO ITS HOMOLOGOUS ALDEHYDE AND/OR ALCOHOL ADH1C, ADH5, ADH1A BDKRB2 4280/4885CSNK1E 1480/4885DNM1 3463/4885

“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.

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