SCHEMBL4386095

SCHEMBL4386095

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.40
NPC1 O15118 5/20 0.33
RAB9A P51151 5/20 0.33
L3MBTL1 Q9Y468 5/20 0.33
MAPT P10636 4/20 0.33
HPGD P15428 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32

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
SCHEMBL4386648 0.88 EGFR (0.45) EGFRNPC1RAB9AL3MBTL1MAPT
SCHEMBL4382088 0.84 EGFR (0.42) EGFRMAPTPDE4APDE4BPDE4C
SCHEMBL4389199 0.84 EGFR (0.39) EGFRHPGDPDE4APDE4BPDE4C
SCHEMBL4383991 0.82 EGFR (0.39) EGFRL3MBTL1MAPTTDP1
SCHEMBL4379902 0.82 EGFR (0.39) EGFRNPC1RAB9AL3MBTL1MAPT
SCHEMBL4387418 0.82 EGFR (0.44) EGFRL3MBTL1MAPTTDP1SMN1; SMN2
SCHEMBL4379783 0.81 EGFR (0.36) EGFRNPC1RAB9AL3MBTL1MAPT
SCHEMBL4385854 0.80 EGFR (0.48) EGFRHPGDPTGDR2CYP2C19ALDH1A1
SCHEMBL4384819 0.80 EGFR (0.40) EGFRNPC1RAB9AL3MBTL1MAPT
SCHEMBL4393960 0.80 EGFR (0.37) EGFRNPC1RAB9ASMN1; SMN2CYP1A2

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.