SCHEMBL5508964

SCHEMBL5508964

CN(C)c1ccc2c(c1)OCC(C(=O)C13CC4CC(CC(C4)C1)C3)=C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.45
USP2 O75604 1/20 0.41
RARA P10276 2/20 0.39
RARG P13631 2/20 0.39
RARB P10826 1/20 0.38
NR1H4 Q96RI1 1/20 0.37
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
APP P05067 1/20 0.34
HSD11B1 P28845 4/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL8267431 0.87 ALOX5 (0.39) ALOX5USP2RARARARGRARB
SCHEMBL5508253 0.82 ALOX5 (0.60) ALOX5RARARARGRARBNR1H4
SCHEMBL5508079 0.82 CCR2 (0.41) ALOX5RARARARGRARBNR1H4
SCHEMBL5508180 0.80 NPC1 (0.44) ALOX5RARARARGRARBMEN1
SCHEMBL5505018 0.79 ALOX5 (0.51) ALOX5MEN1KMT2ARAB9ALMNA
SCHEMBL5508095 0.77 ALDH1A1 (0.40) ALOX5RARARARGRARBNR1H4
SCHEMBL5505713 0.76 ALDH1A1 (0.40) ALOX5RARARARGRARBNR1H4
SCHEMBL5504699 0.76 ALDH1A1 (0.44) ALOX5RARARARGNR1H4MEN1
SCHEMBL5510418 0.74 RARA (0.39) ALOX5RARARARGRARBNR1H4
SCHEMBL5510736 0.73 RARA (0.39) ALOX5RARARARGRARBNR1H4

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 ALOX5 1460/4885USP2 3561/4885RARA 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.