SCHEMBL5507170

SCHEMBL5507170

COc1ccc2[nH]c(C(=O)C34CC5CC(CC(C5)C3)C4)cc2c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.62
PDGFRA P16234 2/20 0.62
FLT3 P36888 7/20 0.55
MEN1 O00255 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
TSHR P16473 1/20 0.54
KMT2A Q03164 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
HPGD P15428 1/20 0.54
HTT P42858 1/20 0.54
RAB9A P51151 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HRH4 Q9H3N8 1/20 0.53

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
SCHEMBL8267960 0.85 PDGFRB (0.50) PDGFRBPDGFRAFLT3MEN1CYP1A2
SCHEMBL15029160 0.83 CNR2 (0.67) PDGFRBPDGFRAFLT3MEN1KMT2A
SCHEMBL5507378 0.83 FLT3 (0.56) PDGFRBPDGFRAFLT3HRH4
SCHEMBL5508084 0.82 KDM4E (0.66) PDGFRBPDGFRAFLT3MEN1CYP1A2
SCHEMBL5510077 0.82 KDM4E (0.56) FLT3MEN1TSHRKMT2AKDM4E
SCHEMBL29988822 0.80 CNR2 (0.65) PDGFRBPDGFRAFLT3KDM4ENPC1
SCHEMBL5505370 0.79 CNR2 (0.43) TSHRKDM4ENPC1ALDH1A1LMNA
SCHEMBL1429500 0.78 PDGFRB (0.77) PDGFRBPDGFRAFLT3MEN1CYP1A2
SCHEMBL6866887 0.77 PDGFRB (1.00) PDGFRBPDGFRAFLT3MEN1CYP1A2
SCHEMBL2729934 0.76 PDGFRB (0.79) PDGFRBPDGFRAFLT3MEN1CYP1A2

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 PDGFRB 2665/4885PDGFRA 2357/4885FLT3 3256/4885

“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.