SCHEMBL5505977

SCHEMBL5505977

COc1cccc(C=CC(=O)C23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.53
FOS P01100 1/20 0.53
JUN P05412 1/20 0.53
BCHE P06276 1/20 0.53
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
MAPT P10636 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 2/20 0.52
ALDH1A1 P00352 2/20 0.52
GAA P10253 2/20 0.52
POLB P06746 1/20 0.52
HTT P42858 1/20 0.52
MAOA P21397 2/20 0.50
CYP1A1 P04798 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP1B1 Q16678 2/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
P2RX2 Q9UBL9 1/20 0.49

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
SCHEMBL5504507 0.87 MEN1 (0.50) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL8266779 0.85 MAOB (0.44) MAOBFOSJUNBCHEMEN1
SCHEMBL6093637 0.84 F3 (0.55) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL5503711 0.81 ALDH1A1 (0.65) MAOBBCHEMEN1KMT2ASMN1; SMN2
SCHEMBL4363448 0.79 MAOB (0.66) MAOBFOSJUNBCHEMAPT
SCHEMBL4363444 0.79 MAOB (0.66) MAOBFOSJUNBCHEMAPT
SCHEMBL12040547 0.79 GABBR2 (0.53) MAOBBCHEMEN1KMT2AMAPT
SCHEMBL6091145 0.79 GABBR2 (0.53) MAOBBCHEMEN1KMT2AMAPT
SCHEMBL5510876 0.79 JUN (0.60) JUNMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4728511 0.79 ALDH1A1 (0.61) MEN1KMT2AMAPTSMN1; SMN2LMNA

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 MAOB 506/4885FOS 2856/4885JUN 3678/4885

“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.