SCHEMBL4384780

SCHEMBL4384780

CCc1c(OCOC)cc(OCOC)c(-c2ccccc2)c1CCC(=O)NCCO

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
EGFR P00533 2/20 0.39
CNR1 P21554 3/20 0.38
MAPT P10636 2/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 3/20 0.37
MTNR1A P48039 2/20 0.37
POLB P06746 1/20 0.37
MTNR1B P49286 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL4387790 0.91 KDM4E (0.38) KDM4ELMNAEGFRMAPTTHRB
SCHEMBL4380658 0.87 TSHR (0.38) CNR2KDM4ELMNAEGFRCNR1
SCHEMBL4384148 0.85 EGFR (0.40) KDM4EEGFRMAPTMEN1KMT2A
SCHEMBL4387139 0.85 EGFR (0.42) LMNAEGFR
SCHEMBL4385894 0.84 EGFR (0.41) EGFRMAPTPOLB
SCHEMBL4381984 0.83 EGFR (0.41) EGFRMAPTHPGD
SCHEMBL4386982 0.81 EGFR (0.40) KDM4ELMNAEGFRPOLBMEN1
SCHEMBL4383980 0.80 PTGIR (0.39) EGFRMAPT
SCHEMBL4381319 0.80 HPGD (0.43) KDM4ELMNAEGFRMAPTHPGD
SCHEMBL4387419 0.78 EGFR (0.38) KDM4ELMNAEGFRMEN1KMT2A

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 CNR2 1898/4885KDM4E 3223/4885LMNA 4706/4885

“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.