SCHEMBL5491759

SCHEMBL5491759

COCOc1cc(OCOC)cc(C(C(=O)OC)c2ccc(CCC(C)O)o2)c1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
NPC1 O15118 1/20 0.30
HSP90AA1 P07900 1/20 0.30
RAB9A P51151 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL4387310 0.88 PPARG (0.35) ALDH1A1TDP1
SCHEMBL4379090 0.85 KDM4E (0.32) ALDH1A1MAPTNPC1HSP90AA1RAB9A
SCHEMBL4379025 0.84 TDP1 (0.32) NPC1HSP90AA1RAB9AL3MBTL1TDP1
SCHEMBL4392101 0.82
SCHEMBL4382503 0.81 MTNR1A (0.37) ALDH1A1
SCHEMBL4386955 0.81 HDAC1 (0.38) ALDH1A1MAPTNPC1RAB9AL3MBTL1
SCHEMBL4384296 0.81
SCHEMBL4383946 0.80 ALDH1A1 (0.33) ALDH1A1MAPTTSHRNPC1HSP90AA1
SCHEMBL4386272 0.77 MAPT (0.33) MAPTNPC1RAB9AL3MBTL1
SCHEMBL4396532 0.76 MIF (0.32) MAPT

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-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 3520/4885MAPT 2443/4885TSHR 487/4885

“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.