SCHEMBL4366995

SCHEMBL4366995

CCOC(=O)C1C(=O)NCC1c1ccc(Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.67
PDE4B Q07343 1/20 0.67
PDE4C Q08493 1/20 0.67
PDE4D Q08499 1/20 0.67
SLC6A3 Q01959 4/20 0.51
SLC6A2 P23975 3/20 0.51
SLC6A4 P31645 1/20 0.51
ALDH1A1 P00352 2/20 0.51
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C19 P33261 2/20 0.50
HTT P42858 2/20 0.50
CYP2C9 P11712 1/20 0.50
ABCC1 P33527 1/20 0.48
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
FPR1 P21462 4/20 0.45
FPR2 P25090 4/20 0.45
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL29896546 1.00 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DSLC6A3
SCHEMBL1417633 1.00 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DSLC6A3
SCHEMBL13473785 1.00 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DSLC6A3
SCHEMBL2200914 0.87 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL2200434 0.87 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL2197855 0.87 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL2198082 0.87 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL2198181 0.87 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL12424055 0.87 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL16670342 0.86 PDE4A (0.66) 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
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
US-8293926-B2 Method of producing optically active 4-amino-3-substituted phenylbutanoic acid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-23 US disclosed
US-20090137819-A1 Method of Producing Optically Active 4-Amino-3-Substituted Phenylbutanoic Acid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-28 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 (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-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
US-20090137819-A1 Method of Producing Optically Active 4-Amino-3-Substituted Phenylbutanoic Acid ALAD, ATP6V1B1, DAO PDE4A 346/4885PDE4B 53/4885PDE4C 474/4885

“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.