SCHEMBL4067407

SCHEMBL4067407

O=C(O)Cc1ccc(CC(=O)O)c(O)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.58
DUSP3 P51452 1/20 0.48
PTPN5 P54829 1/20 0.48
PTPN11 Q06124 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
CAMK2A Q9UQM7 3/20 0.48
CA2 P00918 1/20 0.48
TDP1 Q9NUW8 3/20 0.45
SRC P12931 1/20 0.44
KDM4E B2RXH2 3/20 0.43
MAPT P10636 3/20 0.43
POLB P06746 3/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 2/20 0.43
HPGD P15428 2/20 0.43
TSHR P16473 2/20 0.43
NFKB1 P19838 2/20 0.43
PMP22 Q01453 2/20 0.43
RGS12 O14924 1/20 0.43
APEX1 P27695 1/20 0.43

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
SCHEMBL8685874 0.93 AKR1B1 (0.58) AKR1B1DUSP3PTPN5PTPN11CTDSP1
SCHEMBL30940438 0.93 AKR1B1 (0.58) AKR1B1DUSP3PTPN5PTPN11CTDSP1
SCHEMBL5806386 0.87 AKR1B1 (0.52) AKR1B1DUSP3PTPN5PTPN11CTDSP1
SCHEMBL7937087 0.84 AKR1B1 (0.67) AKR1B1DUSP3PTPN5PTPN11CTDSP1
SCHEMBL30516544 0.82 AKR1B1 (0.52) AKR1B1DUSP3PTPN5PTPN11CTDSP1
SCHEMBL4668617 0.80 AKR1B1 (0.45) AKR1B1DUSP3PTPN5PTPN11CTDSP1
SCHEMBL3150817 0.80 AKR1B1 (0.45) AKR1B1DUSP3PTPN5PTPN11CTDSP1
SCHEMBL29829095 0.79 AKR1B1 (0.72) AKR1B1DUSP3PTPN5PTPN11CTDSP1
SCHEMBL8791 0.79 AKR1B1 (0.72) AKR1B1DUSP3PTPN5PTPN11CTDSP1
SCHEMBL30940420 0.77 AKR1B1 (0.52) AKR1B1DUSP3PTPN5PTPN11CTDSP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524989-B2 Stabilized hydroxylamine solutions BASF AKTIENGESELLSCHAFT (DE) 2009-04-28 US disclosed
EP-1434735-B1 STABILIZED HYDROXYLAMINE SOLUTIONS BASF AG (DE) 2006-10-25 EP disclosed
WO-2006107644-A1 COLORANT COMPOUNDS, INTERMEDIATES, AND COMPOSITIONS MILLIKEN & COMPANY (US) 2006-10-12 WO disclosed
US-20060223993-A1 Colorant compounds, intermediates, and compositions MILLIKEN & COMPANY 2006-10-05 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-20060223993-A1 Colorant compounds, intermediates, and compositions AAAS, TST, AADAC AKR1B1 2112/4885DUSP3 4390/4885PTPN5 2651/4885

“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.