SCHEMBL24596998

SCHEMBL24596998

CNCCOCCOCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
TDP1 Q9NUW8 1/20 0.49
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
SIGMAR1 Q99720 3/20 0.39
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
SLC9A3 P48764 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL15354487 1.00 ALDH1A1 (0.49) ALDH1A1TDP1KDM4ESMN1; SMN2SIGMAR1
SCHEMBL7127556 0.92 ALDH1A1 (0.51) ALDH1A1TDP1KDM4ESMN1; SMN2SIGMAR1
SCHEMBL18545126 0.92 ALDH1A1 (0.43) ALDH1A1TDP1KDM4ESMN1; SMN2SIGMAR1
SCHEMBL29300492 0.88 ALDH1A1 (0.49) ALDH1A1TDP1KDM4ESMN1; SMN2SIGMAR1
SCHEMBL13474979 0.88 ALDH1A1 (0.50) ALDH1A1TDP1KDM4ESMN1; SMN2SIGMAR1
SCHEMBL29300493 0.88 ALDH1A1 (0.49) ALDH1A1TDP1KDM4ESMN1; SMN2SIGMAR1
SCHEMBL24709151 0.88 ALDH1A1 (0.49) ALDH1A1TDP1KDM4ESMN1; SMN2SIGMAR1
SCHEMBL19090093 0.87 ALDH1A1 (0.46) ALDH1A1TDP1KDM4ESMN1; SMN2SIGMAR1
SCHEMBL22854887 0.87 ALDH1A1 (0.66) ALDH1A1TDP1KDM4ESMN1; SMN2SIGMAR1
SCHEMBL31646761 0.87 ALDH1A1 (0.47) ALDH1A1TDP1KDM4ESMN1; SMN2SIGMAR1

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-20220211883-A1 FAP-ACTIVATED RADIOTHERANOSTICS AND USES RELATED THERETO TRUSTEES OF TUFTS COLLEGE 2022-07-07 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-20220211883-A1 FAP-ACTIVATED RADIOTHERANOSTICS AND USES RELATED THERETO FAP, FIBP, FGFR1 ALDH1A1 789/4885TDP1 283/4885KDM4E 2796/4885

“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.