SCHEMBL4389328

SCHEMBL4389328

C=Cc1c(OCOC)cc(OCOC)c(-c2ccccc2)c1CCC(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.38
TSHR P16473 1/20 0.38
CA12 O43570 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
PTPN1 P18031 2/20 0.35
BACE1 P56817 2/20 0.35
SRC P12931 1/20 0.34
PPARG P37231 2/20 0.34
LTB4R Q15722 1/20 0.34
CAPN1 P07384 1/20 0.34
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL4381486 0.89 EGFR (0.40) EGFRKDM4EMEN1ALDH1A1MAPT
SCHEMBL4384148 0.85 EGFR (0.40) EGFRTSHRCA12CA7CA9
SCHEMBL4388897 0.83 TSHR (0.38) EGFRTSHRCA12CA7CA9
SCHEMBL4382249 0.83 EGFR (0.38) EGFRMEN1KMT2A
SCHEMBL4384158 0.83 EGFR (0.40) EGFRTSHRCA12CA7CA9
SCHEMBL4390195 0.83 EGFR (0.40) EGFRTSHRCA12CA7CA9
SCHEMBL4389156 0.79 EGFR (0.46) EGFRKDM4EMEN1ALDH1A1MAPT
SCHEMBL4387139 0.76 EGFR (0.42) EGFRLTB4RCAPN1
SCHEMBL4379880 0.76 EGFR (0.42) EGFRCA9KDM4EMEN1ALDH1A1
SCHEMBL4385894 0.75 EGFR (0.41) EGFRMAPTLTB4RCAPN1

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 624/4885TSHR 487/4885CA12 4788/4885

“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.