SCHEMBL5723055

SCHEMBL5723055

COc1ccc(C(=O)Cc2cc[n+]([O-])cc2)c2c1OC1(CCCC1)C2

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 10/20 0.40
▸ PDE4B Q07343 10/20 0.40
▸ PDE4D Q08499 10/20 0.40
▸ PDE4C Q08493 9/20 0.40
▸ HSP90AA1 P07900 4/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ HIF1A Q16665 3/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33

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
SCHEMBL5722734 0.85 PDE4A (0.43) PDE4APDE4BPDE4DPDE4CHSP90AA1
SCHEMBL5722977 0.84 CYP19A1 (0.43) PDE4APDE4BPDE4DPDE4CHSP90AA1
Hydrochloric Acid SCHEMBL5723210 0.84 PDE4A (0.43) PDE4APDE4BPDE4DPDE4CHSP90AA1
Hydrochloric Acid SCHEMBL5722946 0.83 CYP19A1 (0.42) PDE4APDE4BPDE4DPDE4CHSP90AA1
SCHEMBL5723080 0.78 LMNA (0.50) PDE4APDE4BPDE4DPDE4CSMN1; SMN2
SCHEMBL5723309 0.78 PDE4A (0.41) PDE4APDE4BPDE4DPDE4CHSP90AA1
SCHEMBL5722999 0.77 PDE4A (0.47) PDE4APDE4BPDE4DPDE4CSMN1; SMN2
SCHEMBL5722981 0.77 HSP90AA1 (0.45) PDE4APDE4BPDE4DPDE4CHSP90AA1
SCHEMBL5723362 0.76 PDE4D (0.56) PDE4APDE4BPDE4DPDE4C
SCHEMBL5723198 0.76 PDE4A (0.46) PDE4APDE4BPDE4DPDE4CSMN1; SMN2

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 PDE4A 4879/4885PDE4B 4877/4885PDE4D 4870/4885

“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.

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