SCHEMBL5505975

SCHEMBL5505975

COc1cccc(C(=O)C=CC23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
FAAH O00519 1/20 0.58
CNR2 P34972 1/20 0.58
ABCG2 Q9UNQ0 1/20 0.56
MAOB P27338 2/20 0.53
MAPT P10636 6/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.49
ALDH1A1 P00352 4/20 0.48
CYP1A2 P05177 2/20 0.48
NFKB1 P19838 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
GPR52 Q9Y2T5 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL5504502 0.87 ABCG2 (0.50) MEN1KMT2AFAAHCNR2ABCG2
SCHEMBL6093635 0.84 CNR2 (0.55) MEN1KMT2ACNR2MAOBMAPT
SCHEMBL5503707 0.81 FAAH (0.63) MEN1KMT2AFAAHCNR2MAOB
SCHEMBL4726956 0.80 MEN1 (0.42) MEN1KMT2AFAAHCNR2MAPT
SCHEMBL6091141 0.79 FAAH (0.49) MEN1KMT2AFAAHMAOBMAPT
SCHEMBL31167605 0.79 ABCG2 (0.78) MEN1KMT2AABCG2MAOBMAPT
SCHEMBL4728510 0.79 PKM (0.46) MEN1KMT2ACNR2ABCG2MAPT
SCHEMBL4729406 0.79 PKM (0.46) MEN1KMT2ACNR2ABCG2MAPT
SCHEMBL5510873 0.79 ABCG2 (0.56) MEN1KMT2AABCG2MAPTLMNA
SCHEMBL4728653 0.77 HPGDS (0.54)

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 MEN1 774/4885KMT2A 2600/4885FAAH 459/4885

“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.