SCHEMBL4386680

SCHEMBL4386680

CCc1c(OCOC)cc(OCOC)c(-c2ccccc2)c1CCC=C(C(=O)OC)C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.38
CLCN2 P51788 1/20 0.33
CAPN1 P07384 2/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
DHODH Q02127 1/20 0.31
FABP3 P05413 2/20 0.31
FABP4 P15090 2/20 0.31
FABP5 Q01469 2/20 0.31
CYP2C19 P33261 1/20 0.31
CHEK1 O14757 1/20 0.30
AURKA O14965 1/20 0.30
DAPK3 O43293 1/20 0.30
JAK2 O60674 1/20 0.30
ABL1 P00519 1/20 0.30
NTRK1 P04629 1/20 0.30
FYN P06241 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
SCHEMBL4390010 0.89 EGFR (0.39) EGFRCLCN2CAPN1KDM4EMEN1
SCHEMBL4381589 0.84 EGFR (0.37) EGFRCLCN2KDM4EMEN1ALDH1A1
SCHEMBL4384148 0.82 EGFR (0.40) EGFRCLCN2CAPN1KDM4EMEN1
SCHEMBL4387139 0.82 EGFR (0.42) EGFRCAPN1
SCHEMBL4385894 0.81 EGFR (0.41) EGFRCLCN2CAPN1MAPTDHODH
SCHEMBL4381984 0.81 EGFR (0.41) EGFRCLCN2ALDH1A1MAPTDHODH
SCHEMBL4379880 0.80 EGFR (0.42) EGFRCLCN2CAPN1KDM4EMEN1
SCHEMBL4386776 0.79 EGFR (0.43) EGFRCLCN2CAPN1KDM4EMEN1
SCHEMBL4379642 0.79 EGFR (0.37) EGFRCLCN2KDM4EMAPT
SCHEMBL4386982 0.78 EGFR (0.40) EGFRKDM4EMEN1KMT2ADHODH

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 EGFR 624/4885CLCN2 3823/4885CAPN1 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.