SCHEMBL5723686

SCHEMBL5723686

COC(=O)c1ccc(OC)c2oc(-c3ccccc3)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
HPGD P15428 4/20 0.53
MAPT P10636 4/20 0.53
CYP2C19 P33261 3/20 0.53
CYP3A4 P08684 3/20 0.53
CYP2C9 P11712 2/20 0.53
CYP1A1 P04798 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP1B1 Q16678 1/20 0.50
PDE4B Q07343 5/20 0.46
PDE4D Q08499 5/20 0.46
PDE4A P27815 4/20 0.46
PDE4C Q08493 4/20 0.46
ACHE P22303 1/20 0.45
PLK1 P53350 1/20 0.45
BACE1 P56817 1/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
KDM4E B2RXH2 4/20 0.45

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
SCHEMBL5722837 0.87 PDE4B (0.54) CYP2C19CYP3A4CYP1A1CYP1A2CYP1B1
SCHEMBL5661034 0.85 ACHE (0.55) ALDH1A1HPGDMAPTCYP2C19CYP3A4
SCHEMBL5723091 0.82 MAPT (0.45) ALDH1A1HPGDMAPTCYP2C19CYP3A4
SCHEMBL5723007 0.82 KDM4E (0.45) ALDH1A1HPGDMAPTCYP3A4CYP1A1
SCHEMBL5722795 0.82 CYP1A1 (0.55) ALDH1A1HPGDCYP1A1CYP1A2CYP1B1
SCHEMBL6837653 0.80 SMN1; SMN2 (0.60) ALDH1A1HPGDMAPTCYP2C19CYP1A2
SCHEMBL74506 0.79 PDE4A (0.46) ALDH1A1MAPTPDE4BPDE4DPDE4A
SCHEMBL5723015 0.79 KDM4E (0.43) ALDH1A1HPGDMAPTCYP3A4CYP1A1
SCHEMBL5723113 0.79 PDE4A (0.46) ALDH1A1PDE4BPDE4DPDE4APDE4C
SCHEMBL5723177 0.78 CYP1A2 (0.49) ALDH1A1HPGDMAPTCYP2C19CYP3A4

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

“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.