SCHEMBL2354162

SCHEMBL2354162

CCCC[N+]1(C)CCOCC1.CCCC[N+]1(C)CCOCC1.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 1/20 0.40
EPHX1 P07099 1/20 0.38
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
TERT O14746 7/20 0.32
PABPC1 P11940 1/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
THRB P10828 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
SCHEMBL2348599 0.86 EPHX1 (0.41) EPHX1APOBEC3AAPOBEC3G
SCHEMBL301929 0.86 EPHX1 (0.41) EPHX1APOBEC3AAPOBEC3G
SCHEMBL2351715 0.82 CDC25A (0.40) CDC25AHPGDALOX15THRB
Sulfuric Acid SCHEMBL17102678 0.79 CDC25A (0.50) CDC25AHPGDALOX15TERTPABPC1
Sulfuric Acid SCHEMBL17102681 0.79 CDC25A (0.47) CDC25AHPGDALOX15TERTPABPC1
SCHEMBL1491002 0.79 CDC25A (0.50) CDC25AHPGDALOX15TERTPABPC1
Bromide SCHEMBL2347777 0.77 CDC25A (0.49) CDC25AHPGDALOX15PABPC1APOBEC3A
Iodide SCHEMBL2452446 0.77 CDC25A (0.49) CDC25AHPGDALOX15TERTPABPC1
Pentane SCHEMBL29587231 0.77 EPHX1 (0.57) EPHX1
Sulfuric Acid SCHEMBL17102648 0.76 CDC25A (0.48) CDC25AHPGDALOX15TERTPABPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2043991-B1 HYDROFORMYLATION PROCESS USING A COBALT-BASED CATALYST IN A NONAQUEOUS IONIC LIQUID IFP Energies Nouvelles (FR) 2011-08-31 EP claimed
US-7781621-B2 Hydroformylation method involving a cobalt-based catalyst in a non-aqueous ionic liquid INSTITUT FRANCAIS DU PETROLE (FR) 2010-08-24 US claimed
US-7759528-B2 Acetonitrile removal from the olefinic feed of ether production processes using ionic liquids INSTITUT FRANCAIS DU PETROLE (FR) 2010-07-20 US claimed
US-20080154068-A1 ACETONITRILE REMOVAL FROM THE OLEFINIC FEED OF ETHER PRODUCTION PROCESSES USING IONIC LIQUIDS IFP (FR) 2008-06-26 US claimed
US-7781621-B2 Hydroformylation method involving a cobalt-based catalyst in a non-aqueous ionic liquid INSTITUT FRANCAIS DU PETROLE (FR) 2010-08-24 US disclosed
US-7759528-B2 Acetonitrile removal from the olefinic feed of ether production processes using ionic liquids INSTITUT FRANCAIS DU PETROLE (FR) 2010-07-20 US disclosed
US-20100010270-A1 HYDROFORMYLATION METHOD INVOLVING A COBALT-BASED CATATLYST IN A NON-AQUEOUS IONIC LIQUID IFP (FR) 2010-01-14 US disclosed
US-20080154068-A1 ACETONITRILE REMOVAL FROM THE OLEFINIC FEED OF ETHER PRODUCTION PROCESSES USING IONIC LIQUIDS IFP (FR) 2008-06-26 US disclosed
US-20070286783-A1 METHOD OF DEACIDIZING A GASEOUS EFFLUENT WITH EXTRACTION OF THE PRODUCTS TO BE REGENERATED CARRETTE PIERRE-LOUIS 2007-12-13 US 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-20080154068-A1 ACETONITRILE REMOVAL FROM THE OLEFINIC FEED OF ETHER PRODUCTION PROCESSES USING IONIC LIQUIDS ADH5, CYP4F11, O60361 CDC25A 2140/4885EPHX1 1572/4885HPGD 3721/4885
US-20100010270-A1 HYDROFORMYLATION METHOD INVOLVING A COBALT-BASED CATATLYST IN A NON-AQUEOUS IONIC LIQUID NUDT1, GFPT1, QPCT CDC25A 3210/4885EPHX1 2858/4885HPGD 531/4885

“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.