SCHEMBL2966301

SCHEMBL2966301

CCC(C)OC(=O)C(CCCCCCOC1CCCCO1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ADORA3 P0DMS8 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL7622062 0.97 MEN1 (0.44) MEN1KMT2AADORA3TDP1
SCHEMBL9705177 0.83 MEN1 (0.54) MEN1KMT2AADORA3
SCHEMBL11073532 0.82 NAAA (0.34)
SCHEMBL11271268 0.82 MEN1 (0.43) MEN1KMT2A
SCHEMBL2966296 0.81 MEN1 (0.48) MEN1KMT2ATDP1
SCHEMBL11070070 0.79 TP53 (0.40)
SCHEMBL11071877 0.78 TP53 (0.39)
SCHEMBL11068957 0.78 TP53 (0.39)
SCHEMBL11081734 0.78 TP53 (0.39)
SCHEMBL9306096 0.78 MEN1 (0.47) MEN1KMT2AADORA3

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-7767796-B2 N4 chelator conjugates GE HEALTHCARE LIMITED (GB) 2010-08-03 US disclosed
US-20080131368-A1 N4 Chelator Conjugates GE HEALTHCARE LIMITED (GB) 2008-06-05 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-20080131368-A1 N4 Chelator Conjugates TTK, PIGK, HUNK MEN1 44/4885KMT2A 1001/4885ADORA3 862/4885

“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.