SCHEMBL24218293

SCHEMBL24218293

CCCN[C@@H](CO)[C@H](CO)OC

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 2/20 0.32
CNR1 P21554 1/20 0.32
ADRA1A P35348 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ABCC3 O15438 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL6842509 0.79 TSHR (0.31) KDM4EALDH1A1
SCHEMBL6842488 0.78 LMNA (0.35) KDM4ELMNACNR1ADRA1ATDP1
SCHEMBL10496398 0.73 LMNA (0.37) KDM4EALDH1A1LMNACNR1ADRA1A
SCHEMBL24177621 0.71 KDM4E (0.40) KDM4EALDH1A1LMNACNR1ADRA1A
SCHEMBL9511317 0.68 TSHR (0.38) TDP1
SCHEMBL20876354 0.68 TSHR (0.38) TDP1
SCHEMBL7417972 0.68 TSHR (0.38) TDP1
SCHEMBL29012727 0.68 TSHR (0.38) TDP1
SCHEMBL10409177 0.68 TSHR (0.38) TDP1
SCHEMBL12956362 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220023445-A1 TARGETED CONTRAST AGENTS FOR MRI OF AMYLOID DEPOSITION TEXAS CHILDREN'S HOSPITAL (US) 2022-01-27 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-20220023445-A1 TARGETED CONTRAST AGENTS FOR MRI OF AMYLOID DEPOSITION PSEN1, APP, PHOSPHO1 KDM4E 3103/4885ALDH1A1 4251/4885LMNA 927/4885

“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.