SCHEMBL4381665

SCHEMBL4381665

COCOc1cc(CC(=O)OC)c(-c2ccc(CNCCCN3CCOCC3)o2)c(OCOC)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
ALDH1A1 P00352 4/20 0.46
POLB P06746 1/20 0.46
CD274 Q9NZQ7 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL4386867 0.87 HTT (0.39) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4387157 0.86 CD274 (0.42) LMNAALDH1A1CD274MEN1KMT2A
SCHEMBL4380957 0.84 ALDH1A1 (0.36) LMNAALDH1A1POLBMEN1KMT2A
SCHEMBL4381735 0.83 CD274 (0.40) LMNAALDH1A1CD274MEN1KMT2A
SCHEMBL4386133 0.82 LMNA (0.52) LMNAALDH1A1POLBCD274MEN1
SCHEMBL4384303 0.81 SMN1; SMN2 (0.39) ALDH1A1POLBCD274MEN1KMT2A
SCHEMBL4382486 0.79 MTNR1A (0.34) ALDH1A1SMN1; SMN2
SCHEMBL4379079 0.79 ALDH1A1 (0.36) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL4379012 0.78 HDAC3 (0.34) ALDH1A1CYP2D6CYP2C9
SCHEMBL4387636 0.75 ALDH1A1 (0.35) ALDH1A1POLBSMN1; SMN2MAPK1

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 LMNA 4706/4885ALDH1A1 3520/4885POLB 3913/4885

“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.