SCHEMBL5505402

SCHEMBL5505402

COc1cccc(CC(=O)C=C2CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.52
SIGMAR1 Q99720 3/20 0.48
CYP1A2 P05177 1/20 0.47
POLB P06746 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MMP13 P45452 1/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
USP2 O75604 1/20 0.45
CSNK1D P48730 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
SCHEMBL18827733 0.80 CTBP2 (0.56) CTBP2SIGMAR1CYP1A2POLBMEN1
SCHEMBL1024193 0.79 CTBP2 (0.55) CTBP2SIGMAR1CYP1A2POLBMEN1
SCHEMBL5613277 0.78 CTBP2 (0.54) CTBP2SIGMAR1CYP1A2POLBMEN1
SCHEMBL4071390 0.77 CTBP2 (0.64) CTBP2SIGMAR1CYP1A2POLBMEN1
SCHEMBL19649636 0.77 CTBP2 (0.56) CTBP2SIGMAR1CYP1A2POLBMEN1
SCHEMBL558972 0.77 CTBP2 (0.52) CTBP2SIGMAR1CYP1A2POLBMEN1
SCHEMBL229067 0.76 PTGS1 (0.67) CTBP2CYP1A2POLBMEN1KMT2A
SCHEMBL269177 0.76 CTBP2 (0.62) CTBP2CYP1A2POLBMEN1KMT2A
SCHEMBL15513856 0.76 CTBP2 (0.62) CTBP2SIGMAR1CYP1A2POLBMEN1
SCHEMBL29824310 0.76 PTGS1 (0.67) CTBP2CYP1A2POLBMEN1KMT2A

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
CN-101035521-A Cyclic and acyclic propenones for treating CNS disorders MERZ PHARMA GMBH & CO KGAA (DE) 2007-09-12 CN 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 CTBP2 2863/4885SIGMAR1 739/4885CYP1A2 317/4885

“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.