SCHEMBL4681983

SCHEMBL4681983

C[Si](C)(C)Cl.C[Si](C)(C)Cl.[Na+].[Na+].[S-2]

nearest known ligand 0.75

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.75

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
SCHEMBL7411365 1.00
SCHEMBL9847825 0.88
Iodide SCHEMBL614910 0.88
Bromide SCHEMBL9837092 0.88
SCHEMBL15658212 0.87 ALDH1A1 (1.00) ALDH1A1
SCHEMBL1319 0.87
Hydrochloric Acid SCHEMBL7512029 0.80
SCHEMBL8715381 0.80
Water SCHEMBL8878056 0.80 ALDH1A1 (0.86) ALDH1A1
SCHEMBL9407011 0.80 ALDH1A1 (0.86) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1619183-B1 1-amido-3-(2-hydroxyphenoxy)-2-propanol derivatives and a process for preparing 2-amidomethyl-1, 4-benzodioxane derivatives DAISO CO LTD (JP) 2008-10-01 EP disclosed
US-7368608-B2 1-amido-3-(2-hydroxyphenoxy)-2-propanol derivatives and a process for preparing 2-amidomethyl-1,4-benzodioxane derivatives DAISO CO., LTD. (JP) 2008-05-06 US disclosed
US-20060019993-A1 1-Amido-3-(2-hydroxyphenoxy)-2-propanol derivatives and a process for preparing 2-amidomethyl-1,4-benzodioxane derivatives DAISO CO., LTD. (JP) 2006-01-26 US disclosed
EP-1619183-A2 1-amido-3-(2-hydroxyphenoxy)-2-propanol derivatives and a process for preparing 2-amidomethyl-1, 4-benzodioxane derivatives DAISO CO., LTD. (JP) 2006-01-25 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 (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-20060019993-A1 1-Amido-3-(2-hydroxyphenoxy)-2-propanol derivatives and a process for preparing 2-amidomethyl-1,4-benzodioxane derivatives CCNL2, CCNA1, CCNK ALDH1A1 438/4885

“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.