SCHEMBL5510876

SCHEMBL5510876

COc1ccc(OC)c(C=CC(=O)C23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUN P05412 1/20 0.60
NFKB1 P19838 1/20 0.60
ABCG2 Q9UNQ0 1/20 0.56
PDE4A P27815 1/20 0.54
PDE4B Q07343 1/20 0.54
PDE4C Q08493 1/20 0.54
PDE4D Q08499 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
MAPT P10636 4/20 0.51
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
KDM4E B2RXH2 2/20 0.51
ATM Q13315 1/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 3/20 0.51
POLB P06746 2/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL8266559 0.86 JUN (0.50) JUNNFKB1ABCG2PDE4APDE4B
SCHEMBL6093637 0.80 F3 (0.55) MAPTLMNASMN1; SMN2ATMMEN1
SCHEMBL9256671 0.80 JUN (0.77) JUNNFKB1ABCG2PDE4APDE4B
SCHEMBL9256668 0.80 JUN (0.77) JUNNFKB1ABCG2PDE4APDE4B
SCHEMBL4732088 0.79 MEN1 (0.45) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL5505977 0.79 MAOB (0.53) JUNNFKB1ABCG2MAPTLMNA
SCHEMBL5504507 0.78 MEN1 (0.50) ABCG2MAPTLMNASMN1; SMN2MEN1
SCHEMBL4728511 0.78 ALDH1A1 (0.61) ABCG2MAPTLMNASMN1; SMN2KDM4E
SCHEMBL4731550 0.77 ALDH1A1 (0.47) MAPTLMNASMN1; SMN2KDM4EMEN1
SCHEMBL4726961 0.77 KMT2A (0.43) MAPTLMNASMN1; SMN2KDM4EMEN1

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-1804781-A1 NOVEL CYCLIC AND ACYCLIC PROPENONES FOR TREATING CNS DISORDERS Merz Pharma GmbH & Co.KGaA (DE) 2007-07-11 EP claimed
WO-2006037996-A1 NOVEL CYCLIC AND ACYCLIC PROPENONES FOR TREATING CNS DISORDERS MERZ PHARMA GMBH & CO. KGAA (DE) 2006-04-13 WO claimed
US-20060074083-A1 Cyclic and acyclic propenones for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2006-04-06 US claimed
EP-1804781-A1 NOVEL CYCLIC AND ACYCLIC PROPENONES FOR TREATING CNS DISORDERS Merz Pharma GmbH & Co.KGaA (DE) 2007-07-11 EP disclosed
WO-2006037996-A1 NOVEL CYCLIC AND ACYCLIC PROPENONES FOR TREATING CNS DISORDERS MERZ PHARMA GMBH & CO. KGAA (DE) 2006-04-13 WO disclosed
US-20060074083-A1 Cyclic and acyclic propenones for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2006-04-06 US 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-20060074083-A1 Cyclic and acyclic propenones for treating CNS disorders PMP22, ADCYAP1R1, CYP11B2 JUN 3678/4885NFKB1 2947/4885ABCG2 3170/4885

“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.