SCHEMBL3928059

SCHEMBL3928059

CCCCCC(O[C]=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.40
ALDH1A1 P00352 2/20 0.38
NAAA Q02083 2/20 0.38
POLB P06746 1/20 0.38
CNR2 P34972 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HTR2A P28223 1/20 0.36
KCNH2 Q12809 1/20 0.36
ASAH1 Q13510 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36

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
SCHEMBL6716961 0.98 ALDH1A1 (0.40) SLC7A5ALDH1A1NAAAPOLBCNR2
SCHEMBL6723179 0.98 ALDH1A1 (0.40) SLC7A5ALDH1A1NAAAPOLBCNR2
SCHEMBL6003373 0.95 POLB (0.42) SLC7A5ALDH1A1NAAAPOLBCNR2
SCHEMBL1432767 0.88 AOC3 (0.39) POLBSMN1; SMN2LMNAHTR2AKCNH2
SCHEMBL9572592 0.82 CETP (0.42) ALDH1A1CNR2NPC1RAB9ASMN1; SMN2
SCHEMBL17042680 0.82 ALDH1A1 (0.40) SLC7A5ALDH1A1NAAANPC1RAB9A
SCHEMBL17042557 0.82 ALDH1A1 (0.40) SLC7A5ALDH1A1NAAANPC1RAB9A
SCHEMBL2194257 0.81 SLC7A5 (0.42) SLC7A5ALDH1A1NAAAPOLBCNR2
SCHEMBL27372 0.80 LMNA (0.42) SLC7A5ALDH1A1POLBSMN1; SMN2LMNA
SCHEMBL1459570 0.80 SLC7A5 (0.44) SLC7A5ALDH1A1NAAAPOLBCNR2

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
US-20050154008-A1 Aryl fused substituted 4-oxy-pyridines NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE (US) 2005-07-14 US claimed
US-20020035121-A1 Aryl fused substituted 4-oxy-pyridines CAI GUOLIN (US) 2002-03-21 US claimed
WO-2002000623-A2 ARYL FUSED SUBSTITUTED 4-OXY-PYRIDINES NEUROGEN CORPORATION (US) 2002-01-03 WO claimed
EP-0446670-B1 Method of preparation of amikacin precursors OPOS BIOCHIMICA SRL (IT) 1994-09-21 EP claimed
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
US-7371752-B2 Aryl fused substituted 4-oxy-pyridines NEUROGEN CORPORATION (US) 2008-05-13 US disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO disclosed
US-20050154008-A1 Aryl fused substituted 4-oxy-pyridines NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE (US) 2005-07-14 US disclosed
US-6828329-B2 Agonists, antagonists for gamma-aminobutyric acid brain receptors useful in diagnosis and treatment of anxiety depressionm, down syndrome, sleep and seizure disorders NEUROGEN CORPORATION 2004-12-07 US disclosed
US-20040127433-A1 excellent antibacterial activity especially against a typical acid-fast mycobacteria including multiple drug-resistant bacteria HOKURIKU SEIYAKU CO., LTD. (JP) 2004-07-01 US disclosed
EP-1158589-A1 SECONDARY LITHIUM BATTERY, NEGATIVE ELECTRODE FOR SECONDARY LITHIUM BATTERY, AND PROCESS FOR PRODUCING THE NEGATIVE ELECTRODE FUJITSU LIMITED (JP) 2001-11-28 EP disclosed
US-20010031396-A1 Lithium secondary battery, anode for lithium secondary battery, and method for manufacturing the anode FUJITSU LIMITED (JP) 2001-10-18 US disclosed
US-5998065-A N-OXYIMIDE ADDITIVE FUJITSU LIMITED (JP) 1999-12-07 US disclosed
EP-0562832-A1 Indole and indazole derivatives, for the treatment and prophylaxis of cerebral disorders, their preparation and their use SANKYO COMPANY LIMITED (JP) 1993-09-29 EP disclosed
EP-0450097-A1 BENZOHETEROCYCLIC COMPOUNDS. OTSUKA PHARMA CO LTD (JP) 1991-10-09 EP disclosed
EP-0313081-A2 2-Oxa-isocephem compounds, compositions containing the same and processes for preparing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-04-26 EP disclosed
US-4464369-A CEPHALOSPORINS, ANTIMICROBIALS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-08-07 US disclosed
EP-0088385-A2 7-Acylamino-3-cephem-4-carboxylic acid derivatives, processes for the preparation of the same and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-09-14 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 (3 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-20040127433-A1 excellent antibacterial activity especially against a typical acid-fast mycobacteria including multiple drug-resistant bacteria MAPRE1, MAPRE2, MRPS27 SLC7A5 121/4885ALDH1A1 3946/4885NAAA 1333/4885
US-20050154008-A1 Aryl fused substituted 4-oxy-pyridines CHRNA7, CHRNA4, GABRA6 SLC7A5 1293/4885ALDH1A1 1669/4885NAAA 3907/4885
US-20020035121-A1 Aryl fused substituted 4-oxy-pyridines GABRA4, GABRA6, GABRG2 SLC7A5 1463/4885ALDH1A1 1434/4885NAAA 3537/4885

“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.