SCHEMBL5510077

SCHEMBL5510077

O=C(c1cc2cc(F)ccc2[nH]1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
PDPK1 O15530 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
HPGD P15428 1/20 0.56
TSHR P16473 1/20 0.56
NFKB1 P19838 1/20 0.56
APEX1 P27695 1/20 0.56
CYP2C19 P33261 1/20 0.56
HSD17B10 Q99714 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
FLT3 P36888 6/20 0.51
MLLT1 Q03111 1/20 0.51
HRH4 Q9H3N8 1/20 0.48
KMT2A Q03164 2/20 0.46
CNR2 P34972 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL5508886 0.89 FLT3 (0.48) KDM4EPDPK1ALDH1A1LMNAHPGD
SCHEMBL5507378 0.85 FLT3 (0.56) FLT3HRH4CNR2
SCHEMBL8267965 0.84 MLLT1 (0.47) KDM4EPDPK1ALDH1A1LMNAHPGD
SCHEMBL29988822 0.82 CNR2 (0.65) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL5507170 0.82 PDGFRB (0.62) KDM4EALDH1A1LMNAHPGDTSHR
SCHEMBL5505370 0.81 CNR2 (0.43) KDM4EALDH1A1LMNATSHRHSD17B10
SCHEMBL213471 0.75 KDM4E (0.72) KDM4EPDPK1ALDH1A1LMNAHPGD
SCHEMBL5509491 0.74 FLT3 (0.38) FLT3HRH4KMT2ACNR2MEN1
SCHEMBL8267962 0.74 HSD11B1 (0.40) KDM4EPDPK1ALDH1A1LMNAHPGD
SCHEMBL5508084 0.74 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10FLT3

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 5 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

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 KDM4E 3234/4885PDPK1 791/4885ALDH1A1 934/4885

“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.