SCHEMBL3183272

SCHEMBL3183272

OCCC(O)c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.50
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 2/20 0.44
SIGMAR1 Q99720 5/20 0.42
DRD2 P14416 4/20 0.42
DRD3 P35462 2/20 0.42
LMNA P02545 1/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
CYP1A2 P05177 1/20 0.42
GAA P10253 1/20 0.42
CYP2C9 P11712 1/20 0.42
HTR1A P08908 1/20 0.41
GMNN O75496 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41

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
SCHEMBL9246291 1.00 AOC3 (0.50) AOC3MEN1KMT2AKDM4ESIGMAR1
SCHEMBL9250397 1.00 AOC3 (0.50) AOC3MEN1KMT2AKDM4ESIGMAR1
SCHEMBL13786083 0.89 AOC3 (0.48) AOC3MEN1KMT2AKDM4ESIGMAR1
SCHEMBL13786104 0.89 AOC3 (0.48) AOC3MEN1KMT2AKDM4ESIGMAR1
SCHEMBL24228682 0.87 AOC3 (0.47) AOC3MEN1KMT2AKDM4ESIGMAR1
SCHEMBL31489731 0.82 AOC3 (0.50) AOC3MEN1KMT2AKDM4ESIGMAR1
SCHEMBL16340559 0.81 AOC3 (0.53) AOC3MEN1KMT2AKDM4ECYP3A4
SCHEMBL6481591 0.81 AOC3 (0.53) AOC3MEN1KMT2AKDM4ECYP3A4
SCHEMBL1155019 0.81 AOC3 (0.53) AOC3MEN1KMT2AKDM4ECYP3A4
SCHEMBL22473432 0.81 TRPA1 (0.47) AOC3MEN1KMT2AKDM4ESIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098893-A1 CYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DYSLIPIDEMIA, ATHEROSCLEROSIS AND DIABETES, PHARMACEUTICAL COMPOSITIONS AND PREPARATION PROCESS MERCK PATENT GmbH (DE) 2001-05-16 EP claimed
WO-2000004011-A1 CYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DYSLIPIDAEMIA, ATHEROSCLEROSIS AND DIABETES, PHARMACEUTICAL COMPOSITIONS AND PREPARATION PROCESS MERCK PATENT GMBH (DE) 2000-01-27 WO claimed
US-5395983-A Process for producing 1-phenyl-1,3-propanediols having high optical purtiy CHISSO CORPORATION (JP) 1995-03-07 US claimed
CN-110914271-A Bicyclic ketone compounds and methods of use thereof 豪夫迈·罗氏有限公司 2020-03-24 CN disclosed
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-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-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
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
EP-1098893-A1 CYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DYSLIPIDEMIA, ATHEROSCLEROSIS AND DIABETES, PHARMACEUTICAL COMPOSITIONS AND PREPARATION PROCESS MERCK PATENT GmbH (DE) 2001-05-16 EP disclosed
WO-2000004011-A1 CYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DYSLIPIDAEMIA, ATHEROSCLEROSIS AND DIABETES, PHARMACEUTICAL COMPOSITIONS AND PREPARATION PROCESS MERCK PATENT GMBH (DE) 2000-01-27 WO disclosed
US-5395983-A Process for producing 1-phenyl-1,3-propanediols having high optical purtiy CHISSO CORPORATION (JP) 1995-03-07 US disclosed
WO-1991017162-A1 IMIDAZOPYRIDINE PAF ANTAGONISTS PFIZER LIMITED (GB) 1991-11-14 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 (4 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 AOC3 3125/4885MEN1 2110/4885KMT2A 4301/4885
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 AOC3 305/4885MEN1 3629/4885KMT2A 3094/4885
US-20090118223-A1 Novel 2'-c-methyl and 4'c-methyl nucleoside derivatives MTAP, NT5C3B, NSUN2 AOC3 3605/4885MEN1 3092/4885KMT2A 1072/4885
US-20040192651-A1 Novel cyclic phosphate diesters of 1,3-propane-1-aryl diols and their use in preparing prodrugs PNP, CYP2S1, CYP2F1 AOC3 1811/4885MEN1 2145/4885KMT2A 3874/4885

“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.