SCHEMBL5723091

SCHEMBL5723091

CCc1ccccc1-c1cc2c(C(=O)OC)ccc(OC)c2o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP3A4 P08684 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PDE4A P27815 5/20 0.42
PDE4B Q07343 5/20 0.42
PDE4C Q08493 5/20 0.42
PDE4D Q08499 5/20 0.42
CYP1A2 P05177 5/20 0.40
CYP1A1 P04798 4/20 0.40
CYP1B1 Q16678 4/20 0.40
HSP90AA1 P07900 2/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
S1PR4 O95977 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39

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
SCHEMBL5723015 0.92 KDM4E (0.43) MAPTALDH1A1HPGDKDM4ECYP3A4
SCHEMBL5723007 0.84 KDM4E (0.45) MAPTALDH1A1HPGDKDM4ECYP3A4
SCHEMBL5723686 0.82 ALDH1A1 (0.53) MAPTALDH1A1HPGDKDM4ECYP3A4
SCHEMBL5722955 0.81 PDE4D (0.45) MAPTALDH1A1HPGDKDM4ECYP3A4
Hydrochloric Acid SCHEMBL5723039 0.80 PDE4D (0.44) MAPTALDH1A1HPGDKDM4ECYP3A4
SCHEMBL5722969 0.79 ALDH1A1 (0.47) MAPTALDH1A1HPGDKDM4ECYP3A4
SCHEMBL5722795 0.77 CYP1A1 (0.55) ALDH1A1HPGDKDM4EPDE4APDE4B
SCHEMBL5722837 0.75 PDE4B (0.54) CYP3A4PDE4APDE4BPDE4CPDE4D
SCHEMBL74506 0.74 PDE4A (0.46) MAPTALDH1A1KDM4EPDE4APDE4B
SCHEMBL5723113 0.74 PDE4A (0.46) ALDH1A1KDM4EHSD17B10PDE4APDE4B

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 MAPT 3600/4885ALDH1A1 323/4885HPGD 713/4885

“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.