SCHEMBL6604262

SCHEMBL6604262

CCOC(=O)CC1CCC(C#N)(c2ccc(OC)c3c2OCCO3)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
PDE4B Q07343 7/20 0.35
PDE4A P27815 6/20 0.35
PDE4C Q08493 6/20 0.35
PDE4D Q08499 6/20 0.35
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
KCNH2 Q12809 1/20 0.33
GRIN2B Q13224 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 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
SCHEMBL6606408 0.88 FFAR4 (0.41) ALDH1A1LMNAKDM4EHSD17B10PDE4B
SCHEMBL6723014 0.86 L3MBTL1 (0.41) ALDH1A1LMNAKDM4EHSD17B10PDE4B
SCHEMBL6723011 0.86 L3MBTL1 (0.41) ALDH1A1LMNAKDM4EHSD17B10PDE4B
SCHEMBL6723019 0.86 L3MBTL1 (0.41) ALDH1A1LMNAKDM4EHSD17B10PDE4B
SCHEMBL7656775 0.82 PDE4B (0.41) ALDH1A1LMNAKDM4EHSD17B10PDE4B
SCHEMBL7656780 0.82 PDE4B (0.41) ALDH1A1LMNAKDM4EHSD17B10PDE4B
SCHEMBL7656777 0.82 PDE4B (0.41) ALDH1A1LMNAKDM4EHSD17B10PDE4B
SCHEMBL6607847 0.80 PDE4B (0.53) ALDH1A1LMNAKDM4EHSD17B10PDE4B
SCHEMBL4958570 0.80 PDE4B (0.53) ALDH1A1LMNAKDM4EHSD17B10PDE4B
SCHEMBL6607854 0.80 PDE4B (0.53) ALDH1A1LMNAKDM4EHSD17B10PDE4B

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 ALDH1A1 232/4885LMNA 4242/4885KDM4E 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.