SCHEMBL4386891

SCHEMBL4386891

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.41
DHODH Q02127 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.32
XDH P47989 1/20 0.32
PDE4B Q07343 2/20 0.31
PDE4A P27815 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
GCGR P47871 1/20 0.30
ADRB2 P07550 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
SCHEMBL4379817 0.92 EGFR (0.40) EGFRDHODHHPGDPTGDR2PDE4B
SCHEMBL4387418 0.91 EGFR (0.44) EGFRPTGDR2PDE4BPDE4APDE4C
SCHEMBL2864914 0.88 EGFR (0.37) EGFRHPGDNPC1RAB9AADRB2
SCHEMBL4383991 0.88 EGFR (0.39) EGFR
SCHEMBL4386995 0.86 EGFR (0.36) EGFR
SCHEMBL4379783 0.86 EGFR (0.36) EGFRALDH1A1HPGDHSD17B10GAA
SCHEMBL4378298 0.85 EGFR (0.41) EGFRDHODHALDH1A1PTGDR2CD274
SCHEMBL4386851 0.85 EGFR (0.36) EGFRPDE4BPDE4APDE4CPDE4D
SCHEMBL4379902 0.85 EGFR (0.39) EGFRALDH1A1CD274NPC1RAB9A
SCHEMBL4384966 0.85 EGFR (0.35) EGFRADRB2POLB

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 624/4885DHODH 3584/4885ALDH1A1 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.