SCHEMBL5359433

SCHEMBL5359433

CCCCCN(c1ccccn1)C(P(=O)(OCC)OCC)P(=O)(OCC)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
CYP2D6 P10635 3/20 0.35
CYP2C19 P33261 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
KCNA5 P22460 2/20 0.34
KCNH2 Q12809 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
KCNE1 P15382 1/20 0.33
OPRM1 P35372 1/20 0.32

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
SCHEMBL5363358 0.81 ALDH1A1 (0.46) POLBCYP2C19ALDH1A1LMNAMAPT
SCHEMBL5361045 0.80 ALDH1A1 (0.43) POLBCYP2D6CYP2C19ALDH1A1LMNA
SCHEMBL5361049 0.76 LMNA (0.50) POLBCYP2D6CYP2C19ALDH1A1LMNA
SCHEMBL6312418 0.73 HDAC6 (0.41) POLBALDH1A1HDAC3HDAC4HDAC1
SCHEMBL5363670 0.70 POLB (0.43) POLBALDH1A1LMNAMAPT
SCHEMBL3226743 0.70 KCNH2 (0.49) CYP2D6CYP2C19ALDH1A1LMNAKCNA5
SCHEMBL5359454 0.69 KDM4E (0.48) POLBCYP2D6CYP2C19ALDH1A1MAPT
SCHEMBL8011565 0.69 CYP2D6 (0.61) CYP2D6CYP2C19LMNAHDAC3HDAC4
SCHEMBL13739154 0.69 CYP2D6 (0.61) CYP2D6CYP2C19LMNAHDAC3HDAC4
SCHEMBL9812726 0.69 KCNH2 (0.47) CYP2D6CYP2C19ALDH1A1LMNAKCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7208481-B2 Aminodiphosphonate apolipoprotein E modulators ILEX PRODUCTS, INC. (US) 2007-04-24 US claimed
US-20050075317-A1 Aminodiphosphonate apolipoprotein e modulators PHAN HIEU TRUNG (CH) 2005-04-07 US claimed
EP-1482897-A2 AMINODIPHOSPHONATE APOLIPOPROTEIN E MODULATORS Ilex Products, Inc. (US) 2004-12-08 EP claimed
WO-2003070169-A2 AMINODIPHOSPHONATE APOLIPOPROTEIN E MODULATORS ILEX PRODUCTS, INC. (US) 2003-08-28 WO claimed
US-7208481-B2 Aminodiphosphonate apolipoprotein E modulators ILEX PRODUCTS, INC. (US) 2007-04-24 US disclosed
US-20050075317-A1 Aminodiphosphonate apolipoprotein e modulators PHAN HIEU TRUNG (CH) 2005-04-07 US disclosed
EP-1482897-A2 AMINODIPHOSPHONATE APOLIPOPROTEIN E MODULATORS Ilex Products, Inc. (US) 2004-12-08 EP disclosed
WO-2003070169-A2 AMINODIPHOSPHONATE APOLIPOPROTEIN E MODULATORS ILEX PRODUCTS, INC. (US) 2003-08-28 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-20050075317-A1 Aminodiphosphonate apolipoprotein e modulators APOB, APOL1, NAPEPLD POLB 2745/4885CYP2D6 1868/4885CYP2C19 2345/4885

“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.