SCHEMBL5723323

SCHEMBL5723323

COc1ccc(C=O)c2c1OC1(CCCCC1)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 10/20 0.47
PDE4A P27815 9/20 0.47
PDE4B Q07343 9/20 0.47
PDE4C Q08493 9/20 0.47
ALDH1A1 P00352 6/20 0.36
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
HPGD P15428 3/20 0.34
KDM4E B2RXH2 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 2/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTT P42858 1/20 0.32
ATM Q13315 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
SCHEMBL5722874 0.99 PDE4D (0.48) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL5723233 0.88 PDE4A (0.43) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL5723248 0.81 PDE4A (0.44) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL5723241 0.81 PDE4A (0.44) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL6837783 0.80 PDE4D (0.48) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL5722906 0.80 FFAR4 (0.42) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL5723282 0.79 MAPT (0.46) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL5723278 0.79 MAPT (0.46) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL129925 0.79 PDE4D (0.49) PDE4DPDE4APDE4BPDE4CKDM4E
Hydrochloric Acid SCHEMBL5722735 0.78 MAPT (0.45) PDE4DPDE4APDE4BPDE4CALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0771794-B1 OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO KK (JP) 2006-05-03 EP disclosed
US-6716987-B1 PHOSPHODIESTERASE IV INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-04-06 US disclosed
US-6514996-B2 Derivatives of benzofuran or benzodioxole KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-02-04 US disclosed
US-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-09-12 US disclosed
EP-0771794-A1 OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-05-07 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-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE CBR1, CBR3, CYC1 PDE4D 4870/4885PDE4A 4879/4885PDE4B 4877/4885

“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.