SCHEMBL4728511

SCHEMBL4728511

COc1ccc(C=CC(=O)C23CC4CC(CC(C4)C2)C3)cc1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
KMT2A Q03164 5/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
LMNA P02545 2/20 0.61
MAPT P10636 2/20 0.61
MEN1 O00255 2/20 0.61
POLB P06746 1/20 0.61
GAA P10253 1/20 0.61
HTT P42858 1/20 0.61
TOP2A P11388 3/20 0.58
HDAC11 Q96DB2 2/20 0.48
HDAC2 Q92769 1/20 0.48
KDM4E B2RXH2 4/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC8 Q9BY41 1/20 0.44

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
SCHEMBL8207159 0.86 ALDH1A1 (0.48) ALDH1A1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL17447204 0.85 ALDH1A1 (0.51) ALDH1A1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL5509239 0.81 ALDH1A1 (0.56) ALDH1A1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL16052805 0.81 ALDH1A1 (0.56) ALDH1A1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL6093637 0.80 F3 (0.55) ALDH1A1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL12723726 0.80 KDM4E (0.55) ALDH1A1KMT2ASMN1; SMN2MEN1TOP2A
SCHEMBL5505977 0.79 MAOB (0.53) ALDH1A1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL5504507 0.78 MEN1 (0.50) ALDH1A1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL5510876 0.78 JUN (0.60) ALDH1A1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL4969288 0.76 MAPT (0.53) ALDH1A1KMT2ASMN1; SMN2LMNAMAPT

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 7 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
WO-2008035049-A1 ADAMANTANYL-(CYCLOPROPYL)-KETONES AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2008-03-27 WO disclosed
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 ALDH1A1 934/4885KMT2A 2600/4885SMN1; SMN2 323/4885

“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.