SCHEMBL16424596

SCHEMBL16424596

COCC(=O)C1CCN(C(=O)OC(C)(C)C)C1=O.[KH]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.43
PDE4B Q07343 5/20 0.43
PDE4C Q08493 5/20 0.43
PDE4D Q08499 5/20 0.43
KDM1A O60341 1/20 0.37
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
THRB P10828 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 1/20 0.33
CHRM2 P08172 1/20 0.33

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
SCHEMBL16492031 0.99 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DKDM1A
SCHEMBL16489804 0.85 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DKDM1A
SCHEMBL29738519 0.81 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DKDM1A
SCHEMBL18039817 0.80 PDE4B (0.46) PDE4APDE4BPDE4CPDE4DKDM1A
SCHEMBL13047176 0.80 MAPT (0.41) MAPTKDM4ETHRBPTPN2PTPN1
SCHEMBL28586371 0.80 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DKDM1A
SCHEMBL28004659 0.80 KMT2A (0.33) MEN1KMT2A
SCHEMBL20594536 0.80 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DKDM1A
SCHEMBL28914879 0.80 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DKDM1A
SCHEMBL935013 0.79 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9238667-B2 Rhodium catalyst and method for producing amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-19 US disclosed
US-20150051416-A1 RHODIUM CATALYST AND METHOD FOR PRODUCING AMINE COMPOUND SPERA PHARMA, INC. (JP) 2015-02-19 US disclosed
EP-2832738-A1 RHODIUM CATALYST AND METHOD FOR PRODUCING AMINE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-02-04 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-20150051416-A1 RHODIUM CATALYST AND METHOD FOR PRODUCING AMINE COMPOUND PRMT7, PRMT5, HNMT PDE4A 3189/4885PDE4B 1939/4885PDE4C 2865/4885

“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.