SCHEMBL5503707

SCHEMBL5503707

O=C(C=CC12CC3CC(CC(C3)C1)C2)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.63
CNR2 P34972 2/20 0.63
NR4A2 P43354 4/20 0.54
MAOB P27338 1/20 0.52
PTPN1 P18031 1/20 0.51
SMPD1 P17405 1/20 0.50
SRD5A2 P31213 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 1/20 0.47
THRB P10828 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
HPD P32754 1/20 0.46
NAAA Q02083 1/20 0.45
EPHX2 P34913 1/20 0.45
NR1H4 Q96RI1 1/20 0.45

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
SCHEMBL6091478 0.87 FAAH (0.61) FAAHCNR2NR4A2MAOBSRD5A2
SCHEMBL5505975 0.81 MEN1 (0.58) FAAHCNR2MAOBMEN1KMT2A
SCHEMBL6091141 0.79 FAAH (0.49) FAAHMAOBMEN1KMT2AALDH1A1
SCHEMBL2503385 0.77 MAOB (0.68) NR4A2MAOBPTPN1SMPD1SRD5A2
SCHEMBL2503383 0.77 MAOB (0.68) NR4A2MAOBPTPN1SMPD1SRD5A2
SCHEMBL4878185 0.76 FAAH (0.80) FAAHCNR2NR4A2MAOBPTPN1
SCHEMBL11561702 0.75 NR4A2 (0.72) NR4A2MAOBPTPN1SMPD1SRD5A2
SCHEMBL27488704 0.74 NR4A2 (0.70) NR4A2MAOBPTPN1SMPD1SRD5A2
Water SCHEMBL10958624 0.74 NR4A2 (0.70) NR4A2MAOBPTPN1SMPD1SRD5A2
SCHEMBL5503711 0.73 ALDH1A1 (0.65) FAAHCNR2NR4A2MAOBMEN1

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 FAAH 459/4885CNR2 4/4885NR4A2 1752/4885

“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.