SCHEMBL4387157

SCHEMBL4387157

COCOc1cc(CC(=O)OC)c(-c2ccc(CNCCCN3CCCC3=O)o2)c(OCOC)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 6/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.37
ATM Q13315 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL4381665 0.86 LMNA (0.51) CD274SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL4393726 0.83 SMN1; SMN2 (0.41) CD274SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL4381735 0.81 CD274 (0.40) CD274SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL4382486 0.77 MTNR1A (0.34) SMN1; SMN2ALDH1A1
SCHEMBL4384303 0.76 SMN1; SMN2 (0.39) CD274SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL4379079 0.76 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL4379012 0.75 HDAC3 (0.34) ALDH1A1
SCHEMBL4386867 0.75 HTT (0.39) SMN1; SMN2ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL4387636 0.73 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL4386984 0.72 CYP3A4 (0.35) ALDH1A1

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-7538241-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070155813-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-07-05 US disclosed
EP-1704856-A1 HSP90 FAMILY PROTEIN INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-09-27 EP 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-20070155813-A1 Hsp90 family protein inhibitors HSP90AB1, HEATR1, HSP90AB2P CD274 2969/4885SMN1; SMN2 4471/4885ALDH1A1 3520/4885

“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.