SCHEMBL6601913

SCHEMBL6601913

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PDE4B Q07343 8/20 0.36
PDE4A P27815 7/20 0.36
PDE4C Q08493 7/20 0.36
PDE4D Q08499 7/20 0.36
ACHE P22303 3/20 0.36
BCHE P06276 1/20 0.36
MAPT P10636 1/20 0.33
OPRM1 P35372 2/20 0.32
HTT P42858 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
ABCB1 P08183 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 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
SCHEMBL6601910 1.00 LMNA (0.41) LMNAALDH1A1KDM4EHSD17B10PDE4B
SCHEMBL6601911 1.00 LMNA (0.41) LMNAALDH1A1KDM4EHSD17B10PDE4B
SCHEMBL6607854 0.86 PDE4B (0.53) LMNAALDH1A1KDM4EHSD17B10PDE4B
SCHEMBL4958570 0.86 PDE4B (0.53) LMNAALDH1A1KDM4EHSD17B10PDE4B
SCHEMBL6607847 0.86 PDE4B (0.53) LMNAALDH1A1KDM4EHSD17B10PDE4B
SCHEMBL29357646 0.86 PDE4B (0.53) LMNAALDH1A1KDM4EHSD17B10PDE4B
SCHEMBL6602221 0.85 KDM4E (0.42) LMNAALDH1A1KDM4EHSD17B10PDE4B
SCHEMBL6602217 0.85 KDM4E (0.42) LMNAALDH1A1KDM4EHSD17B10PDE4B
SCHEMBL6602224 0.85 KDM4E (0.42) LMNAALDH1A1KDM4EHSD17B10PDE4B
SCHEMBL14473028 0.84 LMNA (0.39) LMNAALDH1A1KDM4EHSD17B10PDE4B

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 LMNA 4242/4885ALDH1A1 232/4885KDM4E 444/4885
US-20030100772-A1 Oxygen-containing heterocyclic compounds CBR1, CYP11B2, CBR3 LMNA 4580/4885ALDH1A1 263/4885KDM4E 1212/4885

“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.