SCHEMBL942483

SCHEMBL942483

O=C1CCC2C=CC=CC2C1ONc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
GFER P55789 1/20 0.33
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
EPHX1 P07099 1/20 0.31
EPHX2 P34913 1/20 0.31
NPC1 O15118 1/20 0.30
CA1 P00915 1/20 0.30
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 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
SCHEMBL942355 0.79 MRGPRX2 (0.33) ALDH1A1GFER
SCHEMBL14369922 0.72 PSEN1 (0.42) ALDH1A1GFERRAB9ASMN1; SMN2EPHX1
SCHEMBL14399351 0.72 PSEN1 (0.42) ALDH1A1GFERRAB9ASMN1; SMN2EPHX1
SCHEMBL5528790 0.71 ALDH1A1 (0.40) ALDH1A1GFERRAB9ASMN1; SMN2EPHX1
SCHEMBL14369926 0.69 PSEN1 (0.38) ALDH1A1GFERCA1
SCHEMBL5532429 0.68 CA1 (0.30) CA1
SCHEMBL5528287 0.65 ALDH1A1 (0.44) ALDH1A1GFERRAB9ASMN1; SMN2EPHX1
SCHEMBL14369908 0.65 ALDH1A1 (0.41) ALDH1A1GFERRAB9ASMN1; SMN2NPC1
SCHEMBL14369909 0.65 ALDH1A1 (0.41) ALDH1A1GFERRAB9ASMN1; SMN2NPC1
SCHEMBL809416 0.64 KDM4E (0.49) ALDH1A1RAB9ASMN1; SMN2EPHX1EPHX2

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 10 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-1742905-A2 PROCESS OF MAKING ALFA-AMINOOXYKETONE/ ALFA-AMINOOXYALDEHYDE AND ALFA-HYDROXYKETONE/ ALFA-HYDROXYALDEHYDE COMPOUNDS AND A PROCESS OF MAKING REACTION PRODUCTS FROM CYCLIC ALFA, BETA-UNSATURATED KETONE SUBSTRATES AND NITROSO SUBSTRATES Japan Science and Technology Agency (JP) 2007-01-17 EP disclosed
EP-1717221-A1 PROCESSES FOR PRODUCTION OF ALPHA-AMINOOXYKETONES AND ALPHA-HYDROXYKETONES Japan Science and Technology Agency (JP) 2006-11-02 EP disclosed
WO-2005090294-A2 PROCESS OF MAKING α-AMINOOXYKETONE/α-AMINOOXYALDEHYDE AND α-HYDROXYKETONE/α-HYDROXYALDEHYDE COMPOUNDS AND A PROCESS OF MAKING REACTION PRODUCTS FROM CYCLIC α,ß-UNSATURATED KETONE SUBSTRATES AND NITROSO SUBSTRATES JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2005-09-29 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-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 ALDH1A1 103/4885GFER 794/4885RAB9A 4573/4885
US-20070055081-A1 Processes for production of alpha-aminooxyketones and alpha-hydroxyketones KHK, HCCS, XDH ALDH1A1 2256/4885GFER 793/4885RAB9A 3656/4885
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 ALDH1A1 113/4885GFER 312/4885RAB9A 4808/4885
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 ALDH1A1 135/4885GFER 310/4885RAB9A 4835/4885

“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.