SCHEMBL942484

SCHEMBL942484

O=C1CCc2ccccc2C1ONc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ACP3 P15309 1/20 0.37
CHRNA7 P36544 3/20 0.35
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
HIF1A Q16665 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RET P07949 1/20 0.35
HTR2A P28223 1/20 0.35
RAB9A P51151 1/20 0.35
HTR2C P28335 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL943446 0.86 ANPEP (0.50) ANPEPMEN1KMT2ASMN1; SMN2HTR2A
SCHEMBL942356 0.81 MAPK14 (0.46) SMN1; SMN2HTR2ARAB9AHTR2CSLC6A3
SCHEMBL3976186 0.75 CHRNA7 (0.43) ANPEPACP3CHRNA7CHRNB2CHRNA4
SCHEMBL941280 0.74 CYP3A4 (0.38) CHRNA7CHRNB2CHRNA4CYP3A4CYP2D6
SCHEMBL5534349 0.71 CHRNA7 (0.33) CHRNA7CHRNB2CHRNA4CYP3A4CYP2D6
SCHEMBL5528790 0.68 ALDH1A1 (0.40) SMN1; SMN2RAB9A
SCHEMBL9385590 0.68 ACP3 (0.48) ANPEPACP3RETHTR2A
SCHEMBL434315 0.67 CHRNA7 (0.56) ACP3CHRNA7CHRNB2CHRNA4CYP3A4
SCHEMBL14369918 0.67 ALDH1A1 (0.33)
SCHEMBL5693923 0.67 ALDH1A1 (0.33)

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-8372985-B2 Process of making α-aminooxyketone/α-aminooxyaldehyde and α-hydroxyketone/α-hydroxyaldehyde compounds and a process of making reaction products from cyclic α, β-unsaturated ketone substrates and nitroso substrates JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2013-02-12 US disclosed
US-20120302792-A1 PROCESS OF MAKING ALPHA-AMINOOXYKETONE/ALPHA-AMINOOXYALDEHYDE AND ALPHA-HYDROXYKETONE/ALPHA-HYDROXYALDEHYDE COMPOUNDS AND A PROCESS MAKING REACTION PRODUCTS FROM CYCLIC ALPHA, BETA-UNSATURATED KETONE SUBSTRATES AND NITROSO SUBSTRATES JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2012-11-29 US disclosed
US-8252941-B2 Process of making alpha-aminooxyketone/alpha-aminooxyaldehyde and alpha-hydroxyketone/alpha-hydroxyaldehyde compounds and a process making reaction products from cyclic alpha, beta-unsaturated ketone substrates and nitroso substrates JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2012-08-28 US disclosed
US-7872123-B2 Process of making α-aminooxyketone/α-aminooxyaldehyde and α-hydroxyketone/α-hydroxyaldehyde compounds and a process making reaction products from cyclic α,β-unsaturated ketone substrates and nitroso substrates JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-01-18 US disclosed
US-20100099915-A1 PROCESS OF MAKING ALPHA-AMINOOXYKETONE/ALPHA-AMINOOXYALDEHYDE AND ALPHA-HYDROXYKETONE/ALPHA-HYDROXYALDEHYDE COMPOUNDS AND A PROCESS MAKING REACTION PRODUCTS FROM CYCLIC ALPHA, BETA-UNSATURATED KETONE SUBSTRATES AND NITROSO SUBSTRATES JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-04-22 US disclosed
US-20070055081-A1 Processes for production of alpha-aminooxyketones and alpha-hydroxyketones JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2007-03-08 US disclosed
US-20070037973-A1 reacting a cyclic alpha , beta -unsaturated ketone compound with a nitroso compound in the presence of a proline-based catalyst to provide 7-Phenyl-6-oxa-7-aza-bicyclo[3.2.2]nonan-9-one or derivatives; catalytic asymmetric O-nitroso Aldol/Michael reaction JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2007-02-15 US disclosed
EP-1717221-A1 PROCESSES FOR PRODUCTION OF ALPHA-AMINOOXYKETONES AND ALPHA-HYDROXYKETONES Japan Science and Technology Agency (JP) 2006-11-02 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 (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-20070037973-A1 reacting a cyclic alpha , beta -unsaturated ketone compound with a nitroso compound in the presence of a proline-based catalyst to provide 7-Phenyl-6-oxa-7-aza-bicyclo[3.2.2]nonan-9-one or derivatives; catalytic asymmetric O-nitroso Aldol/Michael reaction XDH, PDXK, AOX1 ANPEP 1539/4885MEN1 4690/4885KMT2A 3301/4885
US-20070055081-A1 Processes for production of alpha-aminooxyketones and alpha-hydroxyketones KHK, HCCS, XDH ANPEP 649/4885MEN1 3369/4885KMT2A 2762/4885
US-20100099915-A1 PROCESS OF MAKING ALPHA-AMINOOXYKETONE/ALPHA-AMINOOXYALDEHYDE AND ALPHA-HYDROXYKETONE/ALPHA-HYDROXYALDEHYDE COMPOUNDS AND A PROCESS MAKING REACTION PRODUCTS FROM CYCLIC ALPHA, BETA-UNSATURATED KETONE SUBSTRATES AND NITROSO SUBSTRATES XDH, QSOX1, KMO ANPEP 988/4885MEN1 4131/4885KMT2A 2252/4885
US-20120302792-A1 PROCESS OF MAKING ALPHA-AMINOOXYKETONE/ALPHA-AMINOOXYALDEHYDE AND ALPHA-HYDROXYKETONE/ALPHA-HYDROXYALDEHYDE COMPOUNDS AND A PROCESS MAKING REACTION PRODUCTS FROM CYCLIC ALPHA, BETA-UNSATURATED KETONE SUBSTRATES AND NITROSO SUBSTRATES XDH, AOX1, QSOX1 ANPEP 964/4885MEN1 4372/4885KMT2A 2487/4885

“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.