SCHEMBL6603711

SCHEMBL6603711

COc1ccc(C2(C#N)CCCCC2)c2c1OCCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 2/20 0.34
PDE4A P27815 3/20 0.34
PDE4B Q07343 3/20 0.34
PDE4C Q08493 3/20 0.34
PDE4D Q08499 3/20 0.34
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HTT P42858 2/20 0.32

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
SCHEMBL6604186 0.85 ALDH1A1 (0.42) LMNAALDH1A1KDM4EHSD17B10PDE4A
SCHEMBL6607682 0.85 PDE4D (0.46) LMNAALDH1A1KDM4EHSD17B10MEN1
SCHEMBL6601911 0.84 LMNA (0.41) LMNAALDH1A1KDM4EHSD17B10MEN1
SCHEMBL6601910 0.84 LMNA (0.41) LMNAALDH1A1KDM4EHSD17B10MEN1
SCHEMBL6601913 0.84 LMNA (0.41) LMNAALDH1A1KDM4EHSD17B10MEN1
Ethylene SCHEMBL7250284 0.83 PDE4D (0.45) LMNAALDH1A1KDM4EHSD17B10MEN1
SCHEMBL14473028 0.81 LMNA (0.39) LMNAALDH1A1KDM4EHSD17B10PDE4A
SCHEMBL6602566 0.81 LMNA (0.34) LMNAALDH1A1KDM4EHSD17B10PDE4A
SCHEMBL4958570 0.80 PDE4B (0.53) LMNAALDH1A1KDM4EHSD17B10MEN1
SCHEMBL6607854 0.80 PDE4B (0.53) LMNAALDH1A1KDM4EHSD17B10MEN1

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 4242/4885ALDH1A1 232/4885KDM4E 444/4885

“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.