SCHEMBL4379960

SCHEMBL4379960

CCN(CC)C(=O)Cc1c(Br)c(OCOC)cc(OCOC)c1-c1ccco1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.39
KDM4E B2RXH2 5/20 0.39
MAPT P10636 5/20 0.39
GAA P10253 4/20 0.39
POLB P06746 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
TRPM8 Q7Z2W7 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
RECQL P46063 2/20 0.36
THRB P10828 2/20 0.36
KLK7 P49862 1/20 0.36
UBE2I P63279 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
MCL1 Q07820 1/20 0.36
SAE1 Q9UBE0 1/20 0.36
UBA2 Q9UBT2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 3/20 0.34

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
SCHEMBL4380967 0.86 L3MBTL1 (0.36) ALDH1A1KDM4EMAPTPOLBTDP1
SCHEMBL4379675 0.85 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTGAAPOLB
SCHEMBL4382100 0.83 LMNA (0.41) ALDH1A1KDM4EMAPTGAAPOLB
SCHEMBL4386738 0.80 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTGAAPOLB
SCHEMBL4379978 0.79 PLAU (0.33) ALDH1A1MAPTSMN1; SMN2L3MBTL1LMNA
SCHEMBL4385713 0.79 POLB (0.46) ALDH1A1KDM4EMAPTGAAPOLB
SCHEMBL4381067 0.78 PLAU (0.31) ALDH1A1KDM4EMAPTGAATDP1
SCHEMBL4387465 0.77 SMN1; SMN2 (0.41) ALDH1A1KDM4EMAPTGAAPOLB
SCHEMBL4384082 0.75 L3MBTL1 (0.34) ALDH1A1KDM4EMAPTPOLBTDP1
SCHEMBL4386978 0.72 EGFR (0.40) ALDH1A1KDM4EGAAPOLBSMN1; 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 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 ALDH1A1 3520/4885KDM4E 3223/4885MAPT 2443/4885

“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.