SCHEMBL4300317

SCHEMBL4300317

COc1c(OC)c(-c2cc(F)c(F)c(F)c2)c(CO)c(-c2c(CO)c(-c3cc(F)c(F)c(F)c3)c(OC)c(OC)c2OC)c1OC

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 7/20 0.38
PDE3A Q14432 7/20 0.38
PDE1A P54750 6/20 0.38
PDE1B Q01064 6/20 0.38
PDE1C Q14123 6/20 0.38
PDE5A O76074 6/20 0.38
PDE4A P27815 6/20 0.38
PDE4B Q07343 6/20 0.38
PDE4C Q08493 6/20 0.38
PDE4D Q08499 6/20 0.38
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
GCGR P47871 1/20 0.31
AKR1B1 P15121 1/20 0.31
PTGS2 P35354 1/20 0.31
MAPT P10636 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
SCHEMBL30699313 1.00 PDE3B (0.38) PDE3BPDE3APDE1APDE1BPDE1C
SCHEMBL29150207 0.89 PDE3B (0.45) PDE3BPDE3APDE1APDE1BPDE1C
SCHEMBL4306354 0.84 PDE1A (0.36) PDE3BPDE3APDE1APDE1BPDE1C
SCHEMBL13664486 0.83
SCHEMBL4303270 0.83
SCHEMBL5537532 0.81 PDE5A (0.32) PDE3BPDE3APDE1APDE1BPDE1C
SCHEMBL13664123 0.77 GCGR (0.35) FFAR1FFAR4GCGR
SCHEMBL4302103 0.75 TUBB1 (0.33) FFAR1FFAR4PTGS2
SCHEMBL9766089 0.73 CA2 (0.39) PDE3BPDE3APDE1APDE1BPDE1C
SCHEMBL4309431 0.72 GAA (0.41) FFAR4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 (1 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-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 PDE3B 4052/4885PDE3A 4098/4885PDE1A 1221/4885

“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.