SCHEMBL5534604

SCHEMBL5534604

COc1cc(CO)c(-c2c(CO)cc(OC)c(OC)c2OC)c(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.52
PDE4B Q07343 4/20 0.52
PDE4C Q08493 4/20 0.52
PDE4D Q08499 4/20 0.52
PDE1A P54750 4/20 0.47
PDE1B Q01064 4/20 0.47
PDE3B Q13370 4/20 0.47
PDE1C Q14123 4/20 0.47
PDE3A Q14432 4/20 0.47
PDE5A O76074 3/20 0.47
MAPT P10636 2/20 0.46
CYP3A4 P08684 1/20 0.46
ATM Q13315 2/20 0.44
PTGS2 P35354 1/20 0.43
ACHE P22303 2/20 0.43
ALOX15 P16050 1/20 0.42
CA9 Q16790 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 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
SCHEMBL11928777 0.91 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DPDE1A
SCHEMBL28312125 0.87 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE1A
SCHEMBL14364556 0.85 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DPDE1A
SCHEMBL31134292 0.84 PDE4B (0.47) PDE4APDE4BPDE4CPDE4DPDE1A
SCHEMBL7230987 0.82 KDM4E (0.50) PDE4APDE4BPDE4CPDE4DPDE1A
SCHEMBL2024931 0.82 CA2 (0.49) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL4300298 0.81 CA1 (0.43) MAPTCYP3A4ATMPTGS2ACHE
SCHEMBL2743785 0.80 PDE5A (0.49) PDE4APDE4BPDE4CPDE4DPDE1A
SCHEMBL16156475 0.79 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL19014916 0.79 PDE4A (0.77) PDE4APDE4BPDE4CPDE4DPDE1A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117285402-B Pregabalin of Process for the preparation of intermediates 常州大学 2025-05-09 CN disclosed
US-8722919-B2 Process for production of mono-substituted alkylated compound using aldimine or derivative thereof NAGASE & CO., LTD. (JP) 2014-05-13 US disclosed
US-8722919-B2 Process for production of mono-substituted alkylated compound using aldimine or derivative thereof NAGASE & CO., LTD. (JP) 2014-05-13 US disclosed
US-8614316-B2 Optically active quaternary ammonium salt having axial asymmetry and process for producing α-amino acid and derivative thereof with the same NAGASE & CO., LTD. (JP) 2013-12-24 US disclosed
EP-2484667-A1 Optically active quaternary ammonium salt having axial asymmetry and process for producing alpha-amino acid and derivative thereof with the same NAGASE & COMPANY, LTD. (JP) 2012-08-08 EP disclosed
US-20090270614-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME NAGASE & CO., LTD. (JP) 2009-10-29 US disclosed
US-20090270614-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME NAGASE & CO., LTD. (JP) 2009-10-29 US disclosed
US-20090054679-A1 PROCESS FOR PRODUCTION OF MONO-SUBSTITUTED ALKYLATED COMPOUND USING ALDIMINE OR DERIVATIVE THEREOF NAGASE & CO., LTD. (JP) 2009-02-26 US disclosed
US-20090054679-A1 PROCESS FOR PRODUCTION OF MONO-SUBSTITUTED ALKYLATED COMPOUND USING ALDIMINE OR DERIVATIVE THEREOF NAGASE & CO., LTD. (JP) 2009-02-26 US disclosed
EP-1870403-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING -AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME NAGASE & COMPANY, LTD. (JP) 2007-12-26 EP disclosed
EP-1870403-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING -AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME NAGASE & COMPANY, LTD. (JP) 2007-12-26 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 (2 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-20090054679-A1 PROCESS FOR PRODUCTION OF MONO-SUBSTITUTED ALKYLATED COMPOUND USING ALDIMINE OR DERIVATIVE THEREOF AADAT, BCAT2, BCAT1 PDE4A 4006/4885PDE4B 3975/4885PDE4C 4273/4885
US-20090270614-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME BCAT1, BCAT2, AADAT PDE4A 4574/4885PDE4B 4223/4885PDE4C 4657/4885

“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.