SCHEMBL5849673

SCHEMBL5849673

O=C(O)CCC(O)n1nnc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 2/20 0.56
CYP4Z1 Q86W10 4/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C8 P10632 1/20 0.48
CYP2B6 P20813 1/20 0.48
CYP4F8 P98187 1/20 0.48
CYP4F12 Q9HCS2 1/20 0.48
POLB P06746 2/20 0.46
APAF1 O14727 1/20 0.46
GAA P10253 4/20 0.44
MGAM O43451 3/20 0.44
AMY1A P0DUB6 3/20 0.44
SI P14410 3/20 0.44
MGAM2 Q2M2H8 3/20 0.44
RAB9A P51151 2/20 0.44
F2 P00734 1/20 0.44
HPGD P15428 1/20 0.44
SLC9A1 P19634 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 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
SCHEMBL22032189 0.80 SLC9A1 (0.50) CYP4Z1CYP1A2POLBAPAF1SLC9A1
SCHEMBL1652528 0.78 SLC9A1 (0.53) CYP4Z1CYP1A2POLBGAAMGAM
SCHEMBL7380423 0.78 POLB (0.43) EGLN3CYP4Z1CYP1A2POLBAPAF1
SCHEMBL10321887 0.77 EGLN3 (0.47) EGLN3CYP4Z1CYP1A2CYP2C8CYP2B6
SCHEMBL4227322 0.76 SLC9A1 (0.51) CYP4Z1CYP1A2POLBAPAF1SLC9A1
SCHEMBL9091462 0.76 POLB (0.51) EGLN3CYP4Z1CYP1A2CYP2C8CYP2B6
SCHEMBL25613143 0.75 SLC9A1 (0.55) CYP4Z1CYP1A2POLBGAAMGAM
SCHEMBL31066856 0.75 SLC9A1 (0.55) CYP4Z1CYP1A2POLBGAAMGAM
SCHEMBL13401722 0.75 APAF1 (0.54) EGLN3CYP4Z1CYP1A2CYP2C8CYP2B6
SCHEMBL513851 0.75 POLB (0.50) EGLN3CYP4Z1CYP1A2CYP2C8CYP2B6

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-7115741-B2 4-thieno[2,3-D]pyrimidin-4-YL piperazine compounds ALEXION PHARMACEUTICALS, INC. 2006-10-03 US disclosed
US-20030153556-A1 Piperazine and homopiperazine compounds MILLENNIUM PHARMACEUTICALS, INC. 2003-08-14 US disclosed
WO-2003022214-A2 PIPERAZINE AND HOMOPIPERAZINE COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-03-20 WO 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-20030153556-A1 Piperazine and homopiperazine compounds HAMP, MPL, F2 EGLN3 34/4885CYP4Z1 95/4885CYP1A2 54/4885

“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.