SCHEMBL6890101

SCHEMBL6890101

COc1cc(CCc2ccncc2)ccc1OC1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 13/20 0.61
PDE4D Q08499 5/20 0.55
PDE4B Q07343 3/20 0.55
PDE4C Q08493 2/20 0.55
RECQL P46063 1/20 0.54
KDM4E B2RXH2 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 1/20 0.51
GLA P06280 1/20 0.51

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
Hydrochloric Acid SCHEMBL6887550 0.99 PDE4A (0.60) PDE4APDE4DPDE4BPDE4CRECQL
SCHEMBL6889304 0.95 PDE4A (0.63) PDE4APDE4DPDE4BPDE4C
Hydrochloric Acid SCHEMBL6887553 0.93 PDE4A (0.62) PDE4APDE4DPDE4BPDE4C
SCHEMBL8436326 0.92 PDE4A (0.60) PDE4APDE4DPDE4BPDE4CKDM4E
SCHEMBL7385364 0.83 PDE4A (0.54) PDE4APDE4DPDE4BPDE4CKDM4E
SCHEMBL6886859 0.82 PDE4A (0.59) PDE4APDE4DPDE4BPDE4C
SCHEMBL21255817 0.82 KDM4E (0.66) PDE4APDE4BRECQLKDM4EGLA
SCHEMBL6882017 0.81 PDE4A (0.56) PDE4APDE4DPDE4BPDE4C
SCHEMBL6882431 0.81 PDE4A (0.52) PDE4APDE4DPDE4BPDE4C
Hydrochloric Acid SCHEMBL7355268 0.81 KDM4E (0.64) PDE4APDE4BRECQLKDM4EGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010034450-A1 Tetra-substituted phenyl derivatives and processes for their preparation ALEXANDER RIKKI PETER (GB) 2001-10-25 US claimed
EP-0766671-A1 TETRA-SUBSTITUTED PHENYL DERIVATIVES USEFUL AS PDE IV INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1997-04-09 EP claimed
WO-1995035285-A1 TETRA-SUBSTITUTED PHENYL DERIVATIVES USEFUL AS PDE IV INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1995-12-28 WO claimed
EP-0766671-B1 TETRA-SUBSTITUTED PHENYL DERIVATIVES USEFUL AS PDE IV INHIBITORS CELLTECH R&D LTD (GB) 2004-09-29 EP disclosed
US-20010034450-A1 Tetra-substituted phenyl derivatives and processes for their preparation ALEXANDER RIKKI PETER (GB) 2001-10-25 US disclosed
US-6197792-B1 PHOSPHODIESTERASE INHIBITOR CELLTECH THERAPEUTICS LIMITED (GB) 2001-03-06 US disclosed
EP-0766671-A1 TETRA-SUBSTITUTED PHENYL DERIVATIVES USEFUL AS PDE IV INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1997-04-09 EP disclosed
WO-1995035285-A1 TETRA-SUBSTITUTED PHENYL DERIVATIVES USEFUL AS PDE IV INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1995-12-28 WO 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-20010034450-A1 Tetra-substituted phenyl derivatives and processes for their preparation CBR1, CSNK1A1L, NPY1R PDE4A 4880/4885PDE4D 4883/4885PDE4B 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.