SCHEMBL16607367

SCHEMBL16607367

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
POLB P06746 2/20 0.43
S1PR1 P21453 1/20 0.43
NAAA Q02083 1/20 0.43
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 1/20 0.40
ATM Q13315 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL17532246 1.00 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL16607366 0.93 MEN1 (0.49) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL30839344 0.93 MEN1 (0.49) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL15775872 0.91 SIGMAR1 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL25260908 0.91 SIGMAR1 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL21257065 0.90 PAM (0.49) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL19088250 0.90 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL24322437 0.89 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL10852328 0.86 THRA (0.47) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL11855822 0.86 NAAA (0.60) ALDH1A1SMN1; SMN2MEN1KMT2ANAAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170128572-A1 LONG-LIVED GADOLINIUM BASED TUMOR TARGETED IMAGING AND THERAPY AGENTS WISCONSIN ALUMNI RESEARCH FOUNDATION 2017-05-11 US disclosed
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 (2 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-20170128572-A1 LONG-LIVED GADOLINIUM BASED TUMOR TARGETED IMAGING AND THERAPY AGENTS H1-3, H1-2, H1-4 ALDH1A1 3398/4885SMN1; SMN2 2638/4885MEN1 529/4885
US-20160199520-A1 NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, OR METAL COMPLEX THEREOF SLC39A3, SLC39A14, SLC39A11 ALDH1A1 3116/4885SMN1; SMN2 2615/4885MEN1 45/4885

“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.