SCHEMBL22845449

SCHEMBL22845449

CCOC(=O)C1C(=O)NC[C@H]1c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.66
PDE4B Q07343 1/20 0.66
PDE4C Q08493 1/20 0.66
PDE4D Q08499 1/20 0.66
ALDH1A1 P00352 3/20 0.57
HTT P42858 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
MAPT P10636 1/20 0.54
PKM P14618 1/20 0.54
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TSHR P16473 2/20 0.48

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
SCHEMBL29896535 1.00 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL16670342 1.00 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL2788911 1.00 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7736125 0.88 MAPT (0.56) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL12424055 0.86 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL2198082 0.86 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL13473785 0.86 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL2200914 0.86 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL2197855 0.86 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL1417633 0.86 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DALDH1A1

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
CN-111822053-B Chiral polysulfonate diamine-metal catalyst and synthesis and application thereof 中山大学 2022-09-30 CN disclosed
US-20200406243-A1 BIFUNCTIONAL CHIRAL ORGANOCATALYTIC COMPOUND HAVING EXCELLENT ENANTIOSELECTIVITY, PREPARATION METHOD THEREFOR, AND METHOD FOR PRODUCING NON-NATURAL GAMMA-AMINO ACID FROM NITRO COMPOUND BY USING SAME KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2020-12-31 US disclosed
CN-111822053-A Chiral polysulfonate diamine-metal catalyst and synthesis and application thereof 中山大学 2020-10-27 CN 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-20200406243-A1 BIFUNCTIONAL CHIRAL ORGANOCATALYTIC COMPOUND HAVING EXCELLENT ENANTIOSELECTIVITY, PREPARATION METHOD THEREFOR, AND METHOD FOR PRODUCING NON-NATURAL GAMMA-AMINO ACID FROM NITRO COMPOUND BY USING SAME NOTUM, ALDH7A1, AADAT PDE4A 3790/4885PDE4B 3047/4885PDE4C 4062/4885

“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.