SCHEMBL27020232

SCHEMBL27020232

CCN1CCN(C)CCN(CC=O)CCN(C)CC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HSD11B1 P28845 1/20 0.32
HTR1A P08908 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CHRNA7 P36544 1/20 0.31
MC4R P32245 1/20 0.31
SIGMAR1 Q99720 3/20 0.31
PKM P14618 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
SCHEMBL18351064 0.91 PAOX (0.38) PAOXALDH1A1HTR1AMC4RSIGMAR1
SCHEMBL1655253 0.91 PAOX (0.38) PAOXALDH1A1HTR1AMC4RSIGMAR1
SCHEMBL13698377 0.91 PAOX (0.38) PAOXALDH1A1HTR1AMC4RSIGMAR1
SCHEMBL26744681 0.91 SMN1; SMN2 (0.35) ALDH1A1HSD11B1SMN1; SMN2CHRNA7
SCHEMBL2560152 0.91 SMN1; SMN2 (0.35) ALDH1A1HSD11B1SMN1; SMN2CHRNA7
SCHEMBL29300025 0.91 SMN1; SMN2 (0.35) ALDH1A1HSD11B1SMN1; SMN2CHRNA7
SCHEMBL21321887 0.91 SMN1; SMN2 (0.35) ALDH1A1HSD11B1SMN1; SMN2CHRNA7
SCHEMBL26744647 0.91 SMN1; SMN2 (0.35) ALDH1A1HSD11B1SMN1; SMN2CHRNA7
SCHEMBL26202000 0.86 SIGMAR1 (0.37) PAOXALDH1A1SIGMAR1PKM
SCHEMBL16582330 0.82 SIGMAR1 (0.38) ALDH1A1SMN1; 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-20240018110-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN ALPHA-9 ONCOLOGY INC. (CA) 2024-01-18 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-20240018110-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN KLK3, FOLH1, TMEM14C PAOX 2831/4885ALDH1A1 2048/4885HSD11B1 1854/4885

“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.