SCHEMBL5723007

SCHEMBL5723007

COC(=O)c1ccc(OC)c2oc(-c3ccccc3C(C)C)cc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PDE4A P27815 4/20 0.43
PDE4B Q07343 4/20 0.43
PDE4C Q08493 4/20 0.43
PDE4D Q08499 4/20 0.43
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
P2RY1 P47900 6/20 0.41
CYP1A1 P04798 4/20 0.40
CYP1A2 P05177 4/20 0.40
CYP1B1 Q16678 4/20 0.40
PLK1 P53350 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL5723091 0.84 MAPT (0.45) KDM4EALDH1A1CYP3A4MAPTHPGD
SCHEMBL5723686 0.82 ALDH1A1 (0.53) KDM4EALDH1A1CYP3A4MAPTHPGD
SCHEMBL5723015 0.81 KDM4E (0.43) KDM4EALDH1A1CYP3A4MAPTHPGD
SCHEMBL5722862 0.80 PDE4D (0.44) KDM4EALDH1A1CYP3A4MAPTHPGD
Hydrochloric Acid SCHEMBL5723157 0.80 PDE4D (0.43) KDM4EALDH1A1CYP3A4MAPTHPGD
SCHEMBL5722994 0.79 ALDH1A1 (0.47) KDM4EALDH1A1CYP3A4MAPTHPGD
SCHEMBL5722795 0.77 CYP1A1 (0.55) KDM4EALDH1A1HPGDPDE4APDE4B
SCHEMBL5722837 0.75 PDE4B (0.54) CYP3A4PDE4APDE4BPDE4CPDE4D
SCHEMBL74506 0.74 PDE4A (0.46) KDM4EALDH1A1MAPTPDE4APDE4B
SCHEMBL5723366 0.73 PDE4D (0.47) KDM4EALDH1A1MAPTPDE4APDE4B

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 KDM4E 3975/4885ALDH1A1 323/4885CYP3A4 189/4885

“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.