SCHEMBL6604510

SCHEMBL6604510

COC(=O)C1CC(C#N)(c2ccc(OC)c3c2OCCO3)CCC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PDE4B Q07343 11/20 0.35
PDE4A P27815 10/20 0.35
PDE4C Q08493 10/20 0.35
PDE4D Q08499 10/20 0.35
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32
OPRM1 P35372 3/20 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
SCHEMBL6601490 0.87 PDE4B (0.34) PDE4BPDE4APDE4CPDE4DPSEN1
SCHEMBL6602224 0.80 KDM4E (0.42) LMNAKDM4EALDH1A1HSD17B10PDE4B
SCHEMBL6602221 0.80 KDM4E (0.42) LMNAKDM4EALDH1A1HSD17B10PDE4B
SCHEMBL6602217 0.80 KDM4E (0.42) LMNAKDM4EALDH1A1HSD17B10PDE4B
SCHEMBL6617848 0.80 PDE4A (0.39) PDE4BPDE4APDE4CPDE4DPSEN1
SCHEMBL6607682 0.79 PDE4D (0.46) LMNAKDM4EALDH1A1HSD17B10PDE4B
SCHEMBL4241620 0.78 PSEN1 (0.35) LMNAPDE4BPDE4APDE4CPDE4D
SCHEMBL11091127 0.78 PDE4B (0.54) PDE4BPDE4APDE4CPDE4DMEN1
Ethylene SCHEMBL7250284 0.77 PDE4D (0.45) LMNAKDM4EALDH1A1HSD17B10PDE4B
SCHEMBL4012666 0.77 PDE4B (0.37) LMNAKDM4EALDH1A1HSD17B10PDE4B

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 LMNA 4242/4885KDM4E 444/4885ALDH1A1 232/4885

“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.