SCHEMBL4379902

SCHEMBL4379902

COCOc1cc(OCOC)c(-c2ccccc2)c(COC)c1Br

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.39
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
MEN1 O00255 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
POLB P06746 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CD274 Q9NZQ7 1/20 0.31
F2RL3 Q96RI0 1/20 0.30
MAPT P10636 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
SCHEMBL4392489 0.89 F2RL3 (0.36) EGFRNPC1RAB9ATDP1MEN1
SCHEMBL4387418 0.89 EGFR (0.44) EGFRTDP1MEN1KMT2AKDM4E
SCHEMBL4383991 0.89 EGFR (0.39) EGFRTDP1L3MBTL1MAPT
SCHEMBL4387158 0.88 F2RL3 (0.36) EGFRNPC1RAB9ATDP1MEN1
SCHEMBL4387603 0.88 AR (0.40) EGFRF2RL3
SCHEMBL2864914 0.86 EGFR (0.37) EGFRNPC1RAB9ATDP1KDM4E
SCHEMBL4383926 0.85 EGFR (0.33) EGFRCD274
SCHEMBL4386648 0.85 EGFR (0.45) EGFRNPC1RAB9ATDP1KDM4E
SCHEMBL4386891 0.85 EGFR (0.41) EGFRNPC1RAB9AALDH1A1LMNA
SCHEMBL4389314 0.84 EGFR (0.38) EGFRMEN1KMT2AKDM4EALDH1A1

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 624/4885NPC1 1090/4885RAB9A 585/4885

“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.