SCHEMBL4382852

SCHEMBL4382852

COCCOCc1c(Br)c(O)cc(O)c1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.38
PDE4B Q07343 5/20 0.38
PDE4A P27815 4/20 0.38
PDE4C Q08493 4/20 0.38
PDE4D Q08499 4/20 0.38
CNR2 P34972 1/20 0.35
AR P10275 4/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TP53 P04637 1/20 0.32
NR4A2 P43354 1/20 0.31

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
SCHEMBL4388379 0.99 F2RL3 (0.37) F2RL3PDE4BPDE4APDE4CPDE4D
SCHEMBL4381978 0.85 PDE4B (0.40) PDE4BPDE4APDE4CPDE4DCNR2
SCHEMBL4387184 0.82 CNR2 (0.39) PDE4BPDE4APDE4CPDE4DCNR2
SCHEMBL4391762 0.82 AR (0.44) AR
SCHEMBL4380187 0.80 PDE4B (0.37) PDE4BPDE4APDE4CPDE4DCNR2
SCHEMBL4387558 0.79 ADRB2 (0.40) PDE4BPDE4APDE4CPDE4DCNR2
SCHEMBL4384862 0.78 AR (0.33) PDE4BPDE4APDE4CPDE4DCNR2
SCHEMBL4388252 0.78 ADRB2 (0.42) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL4390494 0.77 NPC1 (0.40) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL4392489 0.76 F2RL3 (0.36) F2RL3ALDH1A1MEN1KMT2ATDP1

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 F2RL3 3475/4885PDE4B 4266/4885PDE4A 4374/4885

“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.