SCHEMBL6607682

SCHEMBL6607682

COc1ccc(C2(C#N)CCC(=O)CC2)c2c1OCCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 9/20 0.46
PDE4A P27815 8/20 0.46
PDE4B Q07343 8/20 0.46
PDE4C Q08493 8/20 0.46
LMNA P02545 4/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC6A4 P31645 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
MRGPRX2 Q96LB1 1/20 0.31
STK10 O94804 1/20 0.30

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
Ethylene SCHEMBL7250284 0.97 PDE4D (0.45) PDE4DPDE4APDE4BPDE4CLMNA
SCHEMBL6603711 0.85 LMNA (0.41) PDE4DPDE4APDE4BPDE4CLMNA
SCHEMBL6608366 0.84 PDE4D (0.46) PDE4DPDE4APDE4BPDE4CLMNA
SCHEMBL6607899 0.83 KDM4E (0.41) PDE4DPDE4APDE4BPDE4CLMNA
SCHEMBL6604186 0.82 ALDH1A1 (0.42) PDE4DPDE4APDE4BPDE4CLMNA
SCHEMBL6601913 0.81 LMNA (0.41) PDE4DPDE4APDE4BPDE4CLMNA
SCHEMBL6601910 0.81 LMNA (0.41) PDE4DPDE4APDE4BPDE4CLMNA
SCHEMBL6601911 0.81 LMNA (0.41) PDE4DPDE4APDE4BPDE4CLMNA
SCHEMBL14473028 0.81 LMNA (0.39) PDE4DPDE4APDE4BPDE4CLMNA
SCHEMBL6602566 0.80 LMNA (0.34) PDE4DPDE4APDE4BPDE4CLMNA

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 6 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-20030100772-A1 Oxygen-containing heterocyclic compounds KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-05-29 US disclosed
EP-1264829-A1 OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-12-11 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 (2 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
US-20030100772-A1 Oxygen-containing heterocyclic compounds CBR1, CYP11B2, CBR3 PDE4D 3430/4885PDE4A 2849/4885PDE4B 2625/4885

“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.