SCHEMBL5504502

SCHEMBL5504502

COc1cc(OC)cc(C(=O)C=CC23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.50
CNR2 P34972 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
FAAH O00519 1/20 0.44
CYP1A1 P04798 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP1B1 Q16678 2/20 0.41
RECQL P46063 1/20 0.40
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP2D6 P10635 1/20 0.39
P2RX7 Q99572 3/20 0.38
MAOB P27338 1/20 0.37
EPHX2 P34913 1/20 0.37

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
SCHEMBL5505975 0.87 MEN1 (0.58) ABCG2CNR2MEN1KMT2AFAAH
SCHEMBL6093635 0.86 CNR2 (0.55) CNR2MEN1KMT2ACYP1B1P2RX7
SCHEMBL5509233 0.83 ABCG2 (0.52) ABCG2MEN1KMT2A
SCHEMBL4728510 0.78 PKM (0.46) ABCG2CNR2MEN1KMT2A
SCHEMBL4729406 0.78 PKM (0.46) ABCG2CNR2MEN1KMT2A
SCHEMBL5510873 0.78 ABCG2 (0.56) ABCG2MEN1KMT2AATMP2RX7
SCHEMBL4726956 0.77 MEN1 (0.42) CNR2MEN1KMT2AFAAHL3MBTL1
SCHEMBL4728653 0.76 HPGDS (0.54)
SCHEMBL4780927 0.76 ALDH1A1 (0.46) CYP1A1CYP1A2CYP1B1CYP2D6
SCHEMBL4731545 0.76 ALDH1A1 (0.46) CYP1A1CYP1A2CYP1B1CYP2D6

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 ABCG2 3170/4885CNR2 4/4885MEN1 774/4885

“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.