SCHEMBL6608366

SCHEMBL6608366

COc1ccc(C2(C#N)CCC(=O)CC2)c2c1OC(C)(C)O2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 7/20 0.46
PDE4A P27815 5/20 0.46
PDE4B Q07343 5/20 0.46
PDE4C Q08493 5/20 0.46
ALDH1A1 P00352 5/20 0.34
CYP3A4 P08684 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL6607682 0.84 PDE4D (0.46) PDE4DPDE4APDE4BPDE4CALDH1A1
Ethylene SCHEMBL7250284 0.81 PDE4D (0.45) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL6607322 0.81 PDE4B (0.53) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL6607320 0.81 PDE4B (0.53) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL6607325 0.81 PDE4B (0.53) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL6604017 0.81 PDE4A (0.32) PDE4DPDE4APDE4BPDE4C
SCHEMBL6607329 0.80 PDE4B (0.42) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL6607331 0.80 PDE4B (0.42) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL6607333 0.80 PDE4B (0.42) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL6601490 0.80 PDE4B (0.34) PDE4DPDE4APDE4BPDE4CKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1110961-B1 OXYGENIC HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO KK (JP) 2004-07-14 EP disclosed
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
EP-1110961-A1 OXYGENIC HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-06-27 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-20010056117-A1 Oxygen-containing heterocyclic compounds CBR1, CBR3, MT-CO1 PDE4D 3411/4885PDE4A 2844/4885PDE4B 2596/4885

“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.