SCHEMBL9540645

SCHEMBL9540645

CCOCC(C)NC(C)C

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
CYP1A2 P05177 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
SCHEMBL560884 0.86 TDP1 (0.41) TDP1CYP1A2CYP2D6
SCHEMBL16415632 0.79 TDP1 (0.35) TDP1CYP1A2CYP2D6
Ether SCHEMBL4867180 0.77 TDP1 (0.53) TDP1CYP1A2
SCHEMBL12417282 0.76
SCHEMBL15699400 0.76
SCHEMBL6290748 0.75 TDP1 (0.32) TDP1
SCHEMBL14411126 0.75 THRB (0.30)
SCHEMBL10041845 0.74
SCHEMBL9887527 0.74
SCHEMBL13311568 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180079774-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. 2018-03-22 US disclosed
EP-2825286-A1 AMINE TREATING PROCESS FOR ACID GAS SEPARATION USING BLENDS OF AMINES AND ALKYLOXYAMINES ExxonMobil Research and Engineering Company (US) 2015-01-21 EP disclosed
US-20130243676-A1 AMINE TREATING PROCESS FOR ACID GAS SEPARATION USING BLENDS OF AMINES AND ALKYLOXYAMINES EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2013-09-19 US disclosed
WO-2013138443-A1 AMINE TREATING PROCESS FOR ACID GAS SEPARATION USING BLENDS OF AMINES AND ALKYLOXYAMINES EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2013-09-19 WO disclosed
WO-1993010883-A1 LEAN ACID GAS ENRICHMENT WITH SELECTIVE HINDERED AMINES EXXON RESEARCH AND ENGINEERING COMPANY (US) 1993-06-10 WO disclosed
EP-0087856-B1 A PROCESS FOR THE REMOVAL OF H2S FROM GASEOUS MIXTURES USING DIAMINOETHERS EXXON RESEARCH AND ENGINEERING COMPANY (US) 1986-02-26 EP disclosed
US-4405583-A Process for selective removal of H2 S from mixtures containing H22 using di-severely sterically hindered secondary aminoethers EXXON RESEARCH AND ENGINEERING CO. (US) 1983-09-20 US disclosed
EP-0087856-A1 A process for the removal of H2S from gaseous mixtures using diaminoethers EXXON RESEARCH AND ENGINEERING COMPANY (US) 1983-09-07 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-20180079774-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B TDP1 480/4885CYP1A2 2032/4885CYP2D6 1864/4885

“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.