SCHEMBL4384158

SCHEMBL4384158

COCOc1cc(OCOC)c(-c2ccccc2)c(CCC(=O)OC)c1I

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.40
TSHR P16473 1/20 0.40
SRC P12931 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
PTPN1 P18031 2/20 0.37
CAPN1 P07384 2/20 0.36
CA12 O43570 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
KDM4E B2RXH2 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CASP3 P42574 1/20 0.35
LTB4R Q15722 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL4390345 0.88 EGFR (0.43) EGFRTSHRALDH1A1MAPTHPGD
SCHEMBL4390195 0.86 EGFR (0.40) EGFRTSHRSRCALDH1A1MAPT
SCHEMBL4384148 0.86 EGFR (0.40) EGFRTSHRSRCALDH1A1MAPT
SCHEMBL4389328 0.83 EGFR (0.38) EGFRTSHRSRCALDH1A1MAPT
SCHEMBL4389156 0.81 EGFR (0.46) EGFRALDH1A1MAPTHPGDCAPN1
SCHEMBL4388897 0.80 TSHR (0.38) EGFRTSHRALDH1A1MAPTHPGD
SCHEMBL4387474 0.80 EGFR (0.35) EGFRKMT2AMEN1SMN1; SMN2
SCHEMBL4393717 0.78 EGFR (0.41) EGFRTSHRALDH1A1MAPTPTPN1
SCHEMBL4387139 0.76 EGFR (0.42) EGFRCAPN1LTB4RLMNA
SCHEMBL4389125 0.76 EGFR (0.42) EGFRTSHRALDH1A1MAPTHPGD

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 487/4885SRC 179/4885

“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.