SCHEMBL4390195

SCHEMBL4390195

COCOc1cc(OCOC)c(-c2ccccc2)c(CCC(=O)OC)c1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.40
TSHR P16473 1/20 0.40
PTPN1 P18031 2/20 0.39
SRC P12931 1/20 0.36
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 2/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
LTB4R Q15722 1/20 0.35
CAPN1 P07384 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RCE1 Q9Y256 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
SCHEMBL4378298 0.89 EGFR (0.41) EGFRPTPN1ALDH1A1MAPTCAPN1
SCHEMBL4389125 0.88 EGFR (0.42) EGFRTSHRKDM4EMEN1ALDH1A1
SCHEMBL4384148 0.86 EGFR (0.40) EGFRTSHRPTPN1SRCCA12
SCHEMBL4384158 0.86 EGFR (0.40) EGFRTSHRPTPN1SRCCA12
SCHEMBL4386891 0.84 EGFR (0.41) EGFRALDH1A1GAAHSD17B10
SCHEMBL4381129 0.83 EGFR (0.42) EGFRMEN1KMT2ACAPN1
SCHEMBL4389328 0.83 EGFR (0.38) EGFRTSHRPTPN1SRCCA12
SCHEMBL4385950 0.83 EGFR (0.43) EGFRTSHRKDM4EMEN1ALDH1A1
SCHEMBL2864914 0.83 EGFR (0.37) EGFRKDM4EMAPTTDP1
SCHEMBL4387418 0.82 EGFR (0.44) EGFRKDM4EMEN1KMT2AMAPT

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 487/4885PTPN1 453/4885

“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.