SCHEMBL10000708

SCHEMBL10000708

CN1CCN(COC=O)CCN(COC=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.34
MC4R P32245 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 1/20 0.32
RAD52 P43351 1/20 0.32
KMT2A Q03164 1/20 0.32
SIGMAR1 Q99720 2/20 0.32
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GLA P06280 1/20 0.30
CYP1A2 P05177 1/20 0.30
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
SCHEMBL443253 1.00 PAOX (0.34) PAOXMC4RALDH1A1MEN1RAD52
SCHEMBL14477672 0.80 SIGMAR1 (0.43) ALDH1A1KMT2ASIGMAR1LMNATSHR
SCHEMBL5946047 0.80 ALDH1A1 (0.37) PAOXALDH1A1MEN1RAD52KMT2A
SCHEMBL10657199 0.78 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL28132579 0.78
SCHEMBL5294936 0.78
SCHEMBL14210004 0.78 ALDH1A1 (0.33) ALDH1A1
SCHEMBL14258570 0.77 MC4R (0.32) PAOXMC4RSIGMAR1LMNAKDM4E
SCHEMBL10000696 0.77 DAO (0.35) ALDH1A1SIGMAR1KDM4ETDP1
SCHEMBL5858594 0.77 PAOX (0.43) PAOXALDH1A1MEN1RAD52KMT2A

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-20120029177-A1 HETEROCYCLE-AMINO ACID DERIVATIVES FOR TARGETING CANCER TISSUE AND RADIOACTIVE OR NON-RADIOACTIVE LABELED COMPOUNDS THEREOF SNU R&DB FOUNDATION (KR) 2012-02-02 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-20120029177-A1 HETEROCYCLE-AMINO ACID DERIVATIVES FOR TARGETING CANCER TISSUE AND RADIOACTIVE OR NON-RADIOACTIVE LABELED COMPOUNDS THEREOF DDC, AAAS, DNPEP PAOX 1486/4885MC4R 2517/4885ALDH1A1 1843/4885

“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.