SCHEMBL4381565

SCHEMBL4381565

OCc1c(Br)c(O)cc(O)c1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.42
PDE4B Q07343 3/20 0.39
PDE4A P27815 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
CNR2 P34972 1/20 0.38
HTT P42858 1/20 0.38
ALOX5 P09917 2/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
GCGR P47871 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
BCL2L1 Q07817 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NOTUM Q6P988 2/20 0.35
MAOB P27338 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ESR1 P03372 2/20 0.34

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
SCHEMBL4386433 0.86 BACE1 (0.39) BACE1PDE4BPDE4APDE4CPDE4D
SCHEMBL4391995 0.83 BACE1 (0.37) BACE1PDE4BPDE4APDE4CPDE4D
SCHEMBL4380223 0.81 SMN1; SMN2 (0.42) CNR2HTTALDH1A1HPGDHSD17B10
SCHEMBL4386103 0.80 PDE4B (0.36) BACE1PDE4BPDE4APDE4CPDE4D
SCHEMBL4387422 0.80 ALDH1A1 (0.41) PDE4BPDE4APDE4CPDE4DHTT
SCHEMBL4392444 0.79 PLA2G2A (0.41) CNR2HTTALDH1A1HPGD
SCHEMBL4390494 0.79 NPC1 (0.40) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL4381538 0.79 CNR2 (0.38) PDE4BPDE4APDE4CPDE4DCNR2
SCHEMBL4379969 0.79 PDE4B (0.35) BACE1PDE4BPDE4APDE4CPDE4D
SCHEMBL4386929 0.78 TAAR1 (0.40) PDE4BPDE4APDE4CPDE4DALDH1A1

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 BACE1 3031/4885PDE4B 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.