SCHEMBL3536003

SCHEMBL3536003

O=CCCC[C@H](NC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 3/20 0.50
CA2 P00918 4/20 0.48
HPGD P15428 1/20 0.47
PDE4A P27815 3/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
PADI1 Q9ULC6 2/20 0.46
PADI4 Q9UM07 2/20 0.46
PADI2 Q9Y2J8 2/20 0.46
PADI6 Q6TGC4 1/20 0.46
PADI3 Q9ULW8 1/20 0.46
ACE P12821 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTPN1 P18031 1/20 0.45

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
SCHEMBL7263139 0.91 HPGD (0.49) C3AR1CA2HPGDACEALDH1A1
SCHEMBL28409793 0.88 NAALAD2 (0.45) C3AR1CA2HPGDPDE4AACE
SCHEMBL22856661 0.87 FOLH1 (0.54) C3AR1CA2HPGDALDH1A1CTSL
SCHEMBL16448204 0.83 LMNA (0.56) HPGDPDE4APDE4BPDE4CPDE4D
SCHEMBL16448110 0.83 TGM2 (0.48) ALDH1A1TSHR
SCHEMBL16448107 0.83 TGM2 (0.48) ALDH1A1TSHR
SCHEMBL16150251 0.83 KDM1A (0.58) CA2PADI4PADI6CA1CTSL
SCHEMBL16150248 0.83 KDM1A (0.58) CA2PADI4PADI6CA1CTSL
SCHEMBL16448206 0.83 LMNA (0.56) HPGDPDE4APDE4BPDE4CPDE4D
SCHEMBL11670630 0.82 CAPN1 (0.47) HPGDALDH1A1CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7671231-B2 L-allysine acetal prepared by contacting a 2-butene acetal with a hydroformylation catalyst and synthesis gas to prepare aldehyde mixture; contacting with an enantioselective hydrolase in the presence of water and hydrocyanic acid/ammonia; separation from branched derivatives LLOYD MICHAEL C 2010-03-02 US disclosed
US-20070166806-A1 Process for making amino acids LLOYD MICHAEL C 2007-07-19 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 (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-20070166806-A1 Process for making amino acids DDC, ALDH7A1, ASPH C3AR1 1300/4885CA2 496/4885HPGD 357/4885

“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.