SCHEMBL4798690

SCHEMBL4798690

COC(=O)[C@@H](OCc1ccccc1F)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
LMNA P02545 3/20 0.47
KDM4E B2RXH2 1/20 0.47
MAOB P27338 2/20 0.44
SCN9A Q15858 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
IDO1 P14902 2/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP12 P39900 1/20 0.42

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
SCHEMBL4798683 1.00 ALDH1A1 (0.49) ALDH1A1LMNAKDM4EMAOBSCN9A
SCHEMBL4800096 0.86 ALDH1A1 (0.46) ALDH1A1LMNAKDM4EMAOBSCN9A
SCHEMBL4803878 0.85 KMT2A (0.40) ALDH1A1LMNAKDM4EKMT2AMEN1
SCHEMBL4803871 0.85 KMT2A (0.40) ALDH1A1LMNAKDM4EKMT2AMEN1
SCHEMBL4011033 0.80 KMT2A (0.53) ALDH1A1KMT2AMEN1CYP2C19MAPT
SCHEMBL2000458 0.80 KMT2A (0.53) ALDH1A1KMT2AMEN1CYP2C19MAPT
SCHEMBL4803558 0.78 POLB (0.44) ALDH1A1LMNAKDM4EKMT2AMEN1
SCHEMBL4803552 0.78 POLB (0.44) ALDH1A1LMNAKDM4EKMT2AMEN1
SCHEMBL19765221 0.77 ALDH1A1 (0.54) ALDH1A1LMNAKDM4EMAOBSCN9A
SCHEMBL8308826 0.76 ALDH1A1 (0.49) ALDH1A1LMNAKDM4EMAOBSCN9A

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-7446125-B2 Derivatives of nitroproline compounds, processes of manufacture and uses in the treatment of integrin mediated disorders UNIVERSIDAD DEL PAIS VASCO (ES) 2008-11-04 US disclosed
US-20060211630-A1 Novel synthetic compounds, processes of manufacture and uses in the treatment of integrin-mediated disorders UNIVERSIDAD DEL PAIS VASCO (ES) 2006-09-21 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-20060211630-A1 Novel synthetic compounds, processes of manufacture and uses in the treatment of integrin-mediated disorders ITGB5, ITGA5, ITGAV ALDH1A1 3073/4885LMNA 2703/4885KDM4E 3725/4885

“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.