SCHEMBL4382816

SCHEMBL4382816

COCOc1cc(/C=C/C(C)=O)c(-c2ccccc2)c(OCOC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
BACE1 P56817 3/20 0.43
EGFR P00533 2/20 0.41
HDAC8 Q9BY41 5/20 0.39
MAPT P10636 3/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GLA P06280 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC6 Q9UBN7 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
SCHEMBL4382817 1.00 KDM4E (0.44) KDM4EBACE1EGFRHDAC8MAPT
SCHEMBL4384292 0.89 BACE1 (0.45) KDM4EBACE1EGFRHDAC8MAPT
SCHEMBL4384288 0.89 BACE1 (0.45) KDM4EBACE1EGFRHDAC8MAPT
SCHEMBL4383966 0.82 ALDH1A1 (0.40) KDM4EBACE1EGFRHDAC8MAPT
SCHEMBL4381728 0.78 EGFR (0.40) KDM4EBACE1EGFRMAPTGLA
SCHEMBL4381724 0.78 EGFR (0.40) KDM4EBACE1EGFRMAPTGLA
SCHEMBL4382698 0.77 EGFR (0.42) EGFRHDAC8MAPTLMNANPC1
SCHEMBL4392152 0.74 EGFR (0.45) KDM4EEGFRHDAC8ALDH1A1RAB9A
SCHEMBL4393717 0.74 EGFR (0.41) KDM4EEGFRMAPTALDH1A1TDP1
SCHEMBL4379478 0.73 BACE1 (0.39) KDM4EBACE1HDAC8MAPTALDH1A1

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 KDM4E 3223/4885BACE1 3031/4885EGFR 624/4885

“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.