SCHEMBL4389601

SCHEMBL4389601

COC(=O)Cc1cc(O)cc(O)c1-c1ccc(CCC(C)=O)o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.38
KDM4E B2RXH2 8/20 0.38
GLA P06280 2/20 0.38
EGFR P00533 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 8/20 0.37
PKM P14618 4/20 0.37
HPGD P15428 4/20 0.37
HSP90AB1 P08238 1/20 0.37
HSD17B10 Q99714 4/20 0.36
POLB P06746 2/20 0.36
ALOX15 P16050 2/20 0.36
ALOX12 P18054 1/20 0.36
RECQL P46063 1/20 0.36
ESR2 Q92731 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
DDAH1 O94760 1/20 0.34
CYP1A2 P05177 1/20 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
SCHEMBL4383921 0.93 ALDH1A1 (0.42) ALDH1A1KDM4EGLAEGFRGAA
SCHEMBL4387566 0.89 ALDH1A1 (0.35) ALDH1A1KDM4EGLAEGFRGAA
SCHEMBL4387564 0.89 ALDH1A1 (0.35) ALDH1A1KDM4EGLAEGFRGAA
SCHEMBL4392416 0.88 ALDH1A1 (0.35) ALDH1A1KDM4EGLAEGFRGAA
SCHEMBL4392414 0.88 ALDH1A1 (0.35) ALDH1A1KDM4EGLAEGFRGAA
SCHEMBL4381914 0.87 POLB (0.45) ALDH1A1KDM4EMAPTPKMHPGD
SCHEMBL4394951 0.86 HDAC1 (0.43) ALDH1A1KDM4EGLAEGFRGAA
SCHEMBL4395260 0.86 ALDH1A1 (0.41) ALDH1A1KDM4EGLAEGFRGAA
SCHEMBL4388212 0.85 ALDH1A1 (0.40) ALDH1A1KDM4EGLAEGFRGAA
SCHEMBL4389553 0.84 EGFR (0.40) ALDH1A1KDM4EGLAEGFRGAA

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 3223/4885GLA 4173/4885

“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.