SCHEMBL18623944

SCHEMBL18623944

CCCCNC(=O)CN1CCN(C)CCN(C)CCN(CC(=O)O)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.54
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 3/20 0.51
NPC1 O15118 1/20 0.51
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
USP2 O75604 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
NPFFR1 Q9GZQ6 1/20 0.41
NPFFR2 Q9Y5X5 1/20 0.41
ALOX15 P16050 1/20 0.40

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
SCHEMBL22600490 0.94 ALDH1A1 (0.50) SIGMAR1ALDH1A1KDM4ENPC1MEN1
SCHEMBL13032706 0.94 ALDH1A1 (0.50) SIGMAR1ALDH1A1KDM4ENPC1MEN1
SCHEMBL26178992 0.89 ALDH1A1 (0.49) SIGMAR1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL24410021 0.88 MEN1 (0.46) SIGMAR1ALDH1A1KDM4ENPC1MEN1
SCHEMBL29300550 0.88 ALDH1A1 (0.47) SIGMAR1ALDH1A1KDM4ENPC1MEN1
SCHEMBL18871388 0.88 SIGMAR1 (0.57) SIGMAR1ALDH1A1KDM4ENPC1USP2
SCHEMBL5547349 0.88 CASP2 (0.51) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL18118429 0.88 CASP2 (0.51) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL23824100 0.88 CASP2 (0.51) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL254811 0.88 CASP2 (0.51) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2

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-20170072075-A1 Chelated PSMA Inhibitors CANCER TARGETED TECHNOLOGY LLC 2017-03-16 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-20170072075-A1 Chelated PSMA Inhibitors FOLH1, KLK3, PSMA1 SIGMAR1 3316/4885ALDH1A1 1059/4885KDM4E 1788/4885

“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.