SCHEMBL4384801

SCHEMBL4384801

COCOc1cc(CC(=O)OC)c(-c2cccc(C=O)c2)c(OCOC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.37
MTNR1B P49286 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
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TRIM24 O15164 1/20 0.34
TRIM33 Q9UPN9 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
SCHEMBL4378813 0.89 DYRK3 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4378810 0.89 DYRK3 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4392523 0.88 HIF1A (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4392520 0.88 HIF1A (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4379478 0.88 BACE1 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4379474 0.88 BACE1 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2866502 0.85 EGFR (0.43) MTNR1AMTNR1BHDAC3HDAC4HDAC1
SCHEMBL4385708 0.84 HDAC3 (0.38) MTNR1AMTNR1BHDAC3HDAC4HDAC1
SCHEMBL4390340 0.84 CFD (0.38) ALDH1A1MAPTMEN1KMT2ABRD4
SCHEMBL4389611 0.84 FYN (0.43) MTNR1AMTNR1BACLYEGFRFYN

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 MTNR1A 2061/4885MTNR1B 2491/4885HDAC3 325/4885

“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.