SCHEMBL3798998

SCHEMBL3798998

CCC1=CC(=O)N(C(=O)O)C1=O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 1/20 0.32
ALOX15 P16050 1/20 0.30

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
SCHEMBL787534 0.82 XPO1 (0.30) XPO1
Bicarbonate SCHEMBL3183815 0.76 ALDH1A1 (0.40) XPO1
SCHEMBL1172858 0.74 XPO1 (0.33) XPO1
SCHEMBL24939689 0.72 ALDH1A1 (0.50) ALOX15
SCHEMBL14314260 0.71 MGLL (0.36) XPO1
SCHEMBL24939824 0.69 DDAH1 (0.53)
SCHEMBL11297655 0.67 XPO1 (0.32) XPO1
SCHEMBL712319 0.67 MGLL (0.38) XPO1
SCHEMBL24398814 0.65 ALDH1A1 (0.32)
SCHEMBL2153003 0.64 POLB (0.39) XPO1

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-20100297025-A1 Novel compositions magnetic particles covered with gem-bisphosphonate derivatives GUERBET. 2010-11-25 US disclosed
US-7780953-B2 Compositions magnetic particles covered with gem-bisphosphonate derivatives GUERBET (FR) 2010-08-24 US disclosed
US-20040253181-A1 Novel compositions magnetic particles covered with gem-bisphosphonate derivatives GUERBET (FR) 2004-12-16 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-20100297025-A1 Novel compositions magnetic particles covered with gem-bisphosphonate derivatives PHOSPHO1, SGMS2, PTEN XPO1 1460/4885ALOX15 3122/4885

“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.