SCHEMBL3190822

SCHEMBL3190822

OCCC(O)c1cccc(Cl)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.48
CYP1A2 P05177 3/20 0.46
CYP2D6 P10635 3/20 0.46
NFKB1 P19838 2/20 0.46
PNMT P11086 2/20 0.46
CYP3A4 P08684 2/20 0.46
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
GLA P06280 1/20 0.44
CYP2C19 P33261 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.39
ADRB2 P07550 2/20 0.39
ADRB1 P08588 2/20 0.39
AOC3 Q16853 1/20 0.39
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
HIF1A Q16665 1/20 0.38
BLM P54132 1/20 0.37

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
SCHEMBL31074207 1.00 KCNH2 (0.48) KCNH2CYP1A2CYP2D6NFKB1PNMT
SCHEMBL3182327 0.84 ADRB2 (0.53) CYP1A2CYP2D6NFKB1CYP3A4ALDH1A1
SCHEMBL31084764 0.84 ADRB2 (0.53) CYP1A2CYP2D6NFKB1CYP3A4ALDH1A1
SCHEMBL30446181 0.81 CFD (0.46) KCNH2CYP2D6NFKB1MEN1KMT2A
SCHEMBL20943296 0.81 CFD (0.46) KCNH2CYP2D6NFKB1MEN1KMT2A
SCHEMBL20943298 0.81 CFD (0.46) KCNH2CYP2D6NFKB1MEN1KMT2A
SCHEMBL166818 0.80 KCNH2 (0.54) KCNH2CYP1A2CYP2D6NFKB1PNMT
SCHEMBL7147316 0.80 KCNH2 (0.54) KCNH2CYP1A2CYP2D6NFKB1PNMT
SCHEMBL15497033 0.79 CYP1A2 (0.53) KCNH2CYP1A2CYP2D6NFKB1PNMT
SCHEMBL382016 0.79 CYP1A2 (0.53) KCNH2CYP1A2CYP2D6NFKB1PNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556393-B1 NOVEL CYCLIC PHOSPHATE DIESTERS OF 1,3-PROPANE-1-ARYL DIOLS AND THEIR USE IN PREPARING PRODRUGS METABASIS THERAPEUTICS INC (US) 2013-12-25 EP disclosed
US-7666855-B2 2′-C-methyl nucleoside derivatives METABASIS THERAPEUTICS, INC. (US) 2010-02-23 US disclosed
US-20090131370-A1 Novel Nucleoside Derivatives METABASIS THERAPEUTICS , INC. (US) 2009-05-21 US disclosed
US-20090118223-A1 Novel 2'-c-methyl and 4'c-methyl nucleoside derivatives MERCK SHARP & DOHME CORP. 2009-05-07 US disclosed
US-7498320-B2 Cyclic phosphate diesters of 1,3-propane-1-aryl diols and their use in preparing prodrugs METABASIS THERAPEUTICS, INC. (US) 2009-03-03 US disclosed
EP-1915053-A2 NOVEL 2'-C-METHYL AND 4'-C-METHYL NUCLEOSIDE DERIVATIVES Merck & Co., Inc. (US) 2008-04-30 EP disclosed
EP-1905778-A2 Novel 2'-C-methyl nucleoside derivatives Metabasis Therapeutics, Inc. (US) 2008-04-02 EP disclosed
US-20070179114-A1 Novel 2'-C methyl nucleoside derivatives METABASIS THERAPEUTICS, INC. (US) 2007-08-02 US disclosed
EP-1781101-A2 NOVEL NUCLEOSIDE DERIVATIVES Metabasis Therapeutics, Inc. (US) 2007-05-09 EP disclosed
US-20070042989-A1 Novel 2'-C-methyl nucleoside derivatives METABASIS THERAPEUTICS, INC. (US) 2007-02-22 US disclosed
WO-2007022073-A2 NOVEL 2'-C-METHYL AND 4'-C-METHYL NUCLEOSIDE DERIVATIVES MERCK & CO., INC. (US) 2007-02-22 WO disclosed
US-20070021388-A1 Novel cyclic phosphate diesters of 1,3-propane-1-aryl diols and their use in preparing prodrugs CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2007-01-25 US disclosed
US-7148349-B2 Cyclic phosphate diesters of 1,3-propane-1-aryl diols and their use in preparing prodrugs METABASIS THERAPEUTICS, INC. (US) 2006-12-12 US disclosed
EP-1720556-A2 NOVEL 2'-C-METHYL NUCLEOSIDE DERIVATIVES Merck & Co., Inc. (US) 2006-11-15 EP disclosed
WO-2006033709-A2 NOVEL NUCLEOSIDE DERIVATIVES METABASIS THERAPEUTICS, INC. (US) 2006-03-30 WO disclosed
WO-2005084192-A2 NOVEL 2’-C-METHYL NUCLEOSIDE DERIVATIVES MERCK & CO., INC. (US) 2005-09-15 WO disclosed
US-20050182252-A1 Hepatitis C viral infection; 2'-C-beta-methyl-7-deazaadenosine; trans-4-(aryl)-2-(4-nitrophenoxy)-2-oxo-1,3,2-dioxaphosphorinanes METABASIS THERAPEUTICS, INC. 2005-08-18 US disclosed
EP-1556393-A2 NOVEL CYCLIC PHOSPHATE DIESTERS OF 1,3-PROPANE-1-ARYL DIOLS AND THEIR USE IN PREPARING PRODRUGS Metabasis Therapeutics, Inc. (US) 2005-07-27 EP disclosed
US-20040192651-A1 Novel cyclic phosphate diesters of 1,3-propane-1-aryl diols and their use in preparing prodrugs CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2004-09-30 US disclosed
WO-2004041834-A2 NOVEL CYCLIC PHOSPHATE DIESTERS OF 1,3-PROPANE-1-ARYL DIOLS AND THEIR USE IN PREPARING PRODRUGS METABASIS THERAPEUTICS, INC. (US) 2004-05-21 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 (7 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-20090131370-A1 Novel Nucleoside Derivatives SLC29A1, SLC29A2, PNP KCNH2 3022/4885CYP1A2 310/4885CYP2D6 129/4885
US-20050182252-A1 Hepatitis C viral infection; 2'-C-beta-methyl-7-deazaadenosine; trans-4-(aryl)-2-(4-nitrophenoxy)-2-oxo-1,3,2-dioxaphosphorinanes MTAP, NT5C3B, ADAR KCNH2 4104/4885CYP1A2 156/4885CYP2D6 309/4885
US-20070042989-A1 Novel 2'-C-methyl nucleoside derivatives NSUN2, NT5C3B, MTAP KCNH2 2999/4885CYP1A2 127/4885CYP2D6 101/4885
US-20090118223-A1 Novel 2'-c-methyl and 4'c-methyl nucleoside derivatives MTAP, NT5C3B, NSUN2 KCNH2 3281/4885CYP1A2 510/4885CYP2D6 363/4885
US-20040192651-A1 Novel cyclic phosphate diesters of 1,3-propane-1-aryl diols and their use in preparing prodrugs PNP, CYP2S1, CYP2F1 KCNH2 2324/4885CYP1A2 25/4885CYP2D6 28/4885
US-20070021388-A1 Novel cyclic phosphate diesters of 1,3-propane-1-aryl diols and their use in preparing prodrugs PNP, CYP2S1, TYMP KCNH2 2428/4885CYP1A2 25/4885CYP2D6 26/4885
US-20070179114-A1 Novel 2'-C methyl nucleoside derivatives NSUN2, NT5C3B, MTAP KCNH2 2700/4885CYP1A2 130/4885CYP2D6 118/4885

“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.