SCHEMBL944404

SCHEMBL944404

O=C1C2CCC(C2)C1ONc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MC4R P32245 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
GRIN2B Q13224 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
CA1 P00915 1/20 0.32
RAB9A P51151 2/20 0.30
EPHX1 P07099 1/20 0.30
EPHX2 P34913 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
USP2 O75604 1/20 0.30
ALOX15 P16050 1/20 0.30
NPC1 O15118 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
GFER P55789 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
SCHEMBL5534186 0.68 CA1 (0.42) LMNASMN1; SMN2ALDH1A1KDM4EL3MBTL1
SCHEMBL13188780 0.66 ALDH1A1 (0.32) ALDH1A1
SCHEMBL12506436 0.66 ALDH1A1 (0.32) ALDH1A1
SCHEMBL16582761 0.66 AKR1C3 (0.42) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL16568791 0.66 AKR1C3 (0.42) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL29642529 0.66 AKR1C3 (0.42) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL17997343 0.66 AKR1C3 (0.42) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8779972 0.66 AKR1C3 (0.42) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL26934681 0.66 AKR1C3 (0.42) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL941126 0.66

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 6 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-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

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-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 LMNA 1308/4885SMN1; SMN2 1739/4885MC4R 4699/4885
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 LMNA 808/4885SMN1; SMN2 1901/4885MC4R 4582/4885
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 LMNA 529/4885SMN1; SMN2 1740/4885MC4R 4573/4885

“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.