SCHEMBL6602224

SCHEMBL6602224

COC(=O)C1CCC(C#N)(c2ccc(OC)c3c2OCCO3)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PDE4B Q07343 17/20 0.42
PDE4A P27815 16/20 0.42
PDE4C Q08493 16/20 0.42
PDE4D Q08499 16/20 0.42
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL6602221 1.00 KDM4E (0.42) KDM4EALDH1A1LMNAHSD17B10PDE4B
SCHEMBL6602217 1.00 KDM4E (0.42) KDM4EALDH1A1LMNAHSD17B10PDE4B
SCHEMBL4958570 0.90 PDE4B (0.53) KDM4EALDH1A1LMNAHSD17B10PDE4B
SCHEMBL29357646 0.90 PDE4B (0.53) KDM4EALDH1A1LMNAHSD17B10PDE4B
SCHEMBL6607854 0.90 PDE4B (0.53) KDM4EALDH1A1LMNAHSD17B10PDE4B
SCHEMBL6607847 0.90 PDE4B (0.53) KDM4EALDH1A1LMNAHSD17B10PDE4B
SCHEMBL6723011 0.89 L3MBTL1 (0.41) KDM4EALDH1A1LMNAHSD17B10PDE4B
SCHEMBL6723014 0.89 L3MBTL1 (0.41) KDM4EALDH1A1LMNAHSD17B10PDE4B
SCHEMBL6723019 0.89 L3MBTL1 (0.41) KDM4EALDH1A1LMNAHSD17B10PDE4B
SCHEMBL6607329 0.87 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DMEN1

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

“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.