SCHEMBL4729406

SCHEMBL4729406

COc1ccc(C(=O)C=CC23CC4CC(CC(C4)C2)C3)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
CNR2 P34972 1/20 0.46
RARA P10276 3/20 0.44
RARB P10826 2/20 0.44
RARG P13631 2/20 0.44
ABCG2 Q9UNQ0 5/20 0.43
MAPT P10636 4/20 0.42
LMNA P02545 3/20 0.42
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.41
USP2 O75604 1/20 0.41
MAPK1 P28482 1/20 0.41
IKBKB O14920 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NR1I2 O75469 1/20 0.41
PGR P06401 1/20 0.41
HSPD1 P10809 1/20 0.41
GOT1 P17174 1/20 0.41
GLRA1 P23415 1/20 0.41

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
SCHEMBL4728510 1.00 PKM (0.46) PKMCNR2RARARARBRARG
SCHEMBL5509233 0.81 ABCG2 (0.52) ABCG2MEN1KMT2ATNFRSF1AABCB1
SCHEMBL6093635 0.80 CNR2 (0.55) CNR2MAPTLMNANPC1ALDH1A1
SCHEMBL5505975 0.79 MEN1 (0.58) CNR2ABCG2MAPTLMNANPC1
SCHEMBL5504502 0.78 ABCG2 (0.50) CNR2ABCG2MEN1KMT2A
SCHEMBL5510873 0.78 ABCG2 (0.56) ABCG2MAPTLMNAMEN1KMT2A
SCHEMBL4598670 0.75 PKM (0.49) PKMCNR2RARARARBRARG
SCHEMBL4726425 0.75 MAOA (0.47) CNR2MAPTLMNAMEN1KMT2A
SCHEMBL4729401 0.75 MAOA (0.47) CNR2MAPTLMNAMEN1KMT2A
SCHEMBL8649937 0.75 RARA (0.60) PKMCNR2RARARARBRARG

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 PKM 938/4885CNR2 4/4885RARA 4130/4885

“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.