SCHEMBL4381644

SCHEMBL4381644

COCOc1cc(OCOC)c(Br)c(C(C(C)=O)C(=O)OC)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.32
LMNA P02545 1/20 0.32
CAPN1 P07384 1/20 0.31
MAPT P10636 1/20 0.31
BACE1 P56817 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GRM5 P41594 2/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 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
SCHEMBL4381377 0.84 HDAC8 (0.33) HDAC8LMNACAPN1MAPTBACE1
SCHEMBL4390433 0.82 CAPN1 (0.33) HDAC8LMNACAPN1MAPTBACE1
SCHEMBL4388446 0.80 EGFR (0.40) HDAC8CAPN1GRM5
SCHEMBL4380826 0.76 CAPN1 (0.38) CAPN1MAPTBACE1ALDH1A1
SCHEMBL4378990 0.75 HDAC3 (0.32) HDAC8
SCHEMBL4383645 0.73 CAPN1 (0.32) HDAC8CAPN1BACE1GRM5
SCHEMBL4133119 0.71 CYP3A4 (0.43) HDAC8MAPTBACE1KDM4EGRM5
SCHEMBL28652556 0.71 CYP3A4 (0.41) HDAC8MAPTBACE1KDM4EALDH1A1
SCHEMBL2859836 0.70 HSP90AB1 (0.35) HDAC8LMNAMAPTBACE1KDM4E
SCHEMBL22633087 0.70 MAPT (0.39) HDAC8LMNAMAPTBACE1KDM4E

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 HDAC8 94/4885LMNA 4706/4885CAPN1 1225/4885

“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.