SCHEMBL4380155

SCHEMBL4380155

COCOc1cc(OCOC)c(-c2cccc(CCC(=O)OC(C)(C)C)c2)c(CC(=O)OC)c1Br

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
SYK P43405 4/20 0.33
EGFR P00533 2/20 0.33
PTPN1 P18031 2/20 0.33
FFAR1 O14842 6/20 0.33
CNR2 P34972 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
ADK P55263 1/20 0.31

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
SCHEMBL4382160 0.83 MTNR1A (0.36) MTNR1AMTNR1BSYKEGFRFFAR1
SCHEMBL4389125 0.80 EGFR (0.42) EGFR
SCHEMBL4390195 0.76 EGFR (0.40) EGFRPTPN1
SCHEMBL4381375 0.73 HSP90AB1 (0.39) EGFR
SCHEMBL4389156 0.72 EGFR (0.46) EGFR
SCHEMBL4385121 0.72 EGFR (0.49) EGFR
SCHEMBL5262346 0.71 SIRT2 (0.49) PTPN1CNR2SIRT2
SCHEMBL4388730 0.71 ALDH1A1 (0.34)
SCHEMBL4385950 0.71 EGFR (0.43) EGFR
SCHEMBL4379975 0.71 EGFR (0.41) EGFR

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 2491/4885SYK 2129/4885

“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.