SCHEMBL16607366

SCHEMBL16607366

CCCCOC(=O)CN1CCN(CC(=O)OCCCC)CCN(CC(=O)OCCCC)CCN(CC(=O)OCCCC)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
NAAA Q02083 1/20 0.48
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 2/20 0.46
LMNA P02545 1/20 0.46
ATM Q13315 1/20 0.45
DGKA P23743 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
RAD52 P43351 1/20 0.42

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
SCHEMBL30839344 1.00 MEN1 (0.49) MEN1KMT2ANAAAALDH1A1SMN1; SMN2
SCHEMBL17532246 0.93 ALDH1A1 (0.47) MEN1KMT2ANAAAALDH1A1SMN1; SMN2
SCHEMBL16607367 0.93 ALDH1A1 (0.47) MEN1KMT2ANAAAALDH1A1SMN1; SMN2
SCHEMBL10852328 0.93 THRA (0.47) MEN1KMT2ANAAAALDH1A1SMN1; SMN2
SCHEMBL10382093 0.92 ALDH1A1 (0.53) MEN1KMT2ANAAAALDH1A1SMN1; SMN2
SCHEMBL11855822 0.92 NAAA (0.60) MEN1KMT2ANAAAALDH1A1SMN1; SMN2
SCHEMBL10943385 0.91 ALDH1A1 (0.55) MEN1KMT2ANAAAALDH1A1SMN1; SMN2
SCHEMBL12120089 0.91 ALDH1A1 (0.55) MEN1KMT2ANAAAALDH1A1SMN1; SMN2
SCHEMBL5724530 0.90 SIGMAR1 (0.50) MEN1KMT2ANAAAALDH1A1SMN1; SMN2
SCHEMBL21257065 0.90 PAM (0.49) MEN1KMT2ANAAAALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160199520-A1 NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, OR METAL COMPLEX THEREOF FUJIFILM CORPORATION (JP) 2016-07-14 US disclosed
WO-2015046278-A1 NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, OR METAL COMPLEX THEREOF 富士フイルム株式会社 2015-04-02 WO 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-20160199520-A1 NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, OR METAL COMPLEX THEREOF SLC39A3, SLC39A14, SLC39A11 MEN1 45/4885KMT2A 1691/4885NAAA 1084/4885

“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.