SCHEMBL4383916

SCHEMBL4383916

COCOc1cc(OCOC)c(-c2ccccc2)c(C(N)=O)c1Br

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.43
CAPN1 P07384 2/20 0.38
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.35
FYN P06241 1/20 0.35
ESR2 Q92731 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.34
POLB P06746 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CLCN2 P51788 1/20 0.33
CYP2C19 P33261 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
SCHEMBL4385854 0.90 EGFR (0.48) EGFRCAPN1ALDH1A1KDM4EHPGD
SCHEMBL4381967 0.87 LMNA (0.44) EGFRALDH1A1KDM4EHPGDLMNA
SCHEMBL4380006 0.87 EGFR (0.46) EGFRALDH1A1KDM4EHSD17B10HPGD
SCHEMBL4388687 0.86 EGFR (0.43) EGFRCAPN1ALDH1A1KDM4EHPGD
SCHEMBL4380965 0.85 EGFR (0.42) EGFRCAPN1ALDH1A1KDM4EHSD17B10
SCHEMBL4396512 0.85 EGFR (0.42) EGFRCAPN1KDM4ELMNAPOLB
SCHEMBL4381129 0.82 EGFR (0.42) EGFRCAPN1
SCHEMBL4392011 0.81 EGFR (0.55) EGFRCAPN1ALDH1A1TSHRHPGD
SCHEMBL4386648 0.81 EGFR (0.45) EGFRCAPN1ALDH1A1KDM4ETSHR
SCHEMBL4382088 0.80 EGFR (0.42) EGFR

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 624/4885CAPN1 1225/4885ALDH1A1 3520/4885

“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.