SCHEMBL7654261

SCHEMBL7654261

COc1ccc(C2(C#N)CCC(C(=O)O)CC2)c2c1OCCCO2

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.53
PDE4A P27815 17/20 0.53
PDE4C Q08493 17/20 0.53
PDE4D Q08499 17/20 0.53
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL7654256 1.00 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL4957740 1.00 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL6607854 0.96 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL6607847 0.96 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL4958570 0.96 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL29357646 0.96 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL7659290 0.91 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL7659295 0.91 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL7659299 0.91 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL7656780 0.87 PDE4B (0.41) PDE4BPDE4APDE4CPDE4DKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376535-B2 PHOSPHODIESTERASE (PDE) INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-04-23 US disclosed
US-20010056117-A1 Oxygen-containing heterocyclic compounds KYOWA HAKKO KIRIN CO., LTD. (JP) 2001-12-27 US 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-20010056117-A1 Oxygen-containing heterocyclic compounds CBR1, CBR3, MT-CO1 PDE4B 2596/4885PDE4A 2844/4885PDE4C 3154/4885

“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.