SCHEMBL5510096

SCHEMBL5510096

COc1ccc2cc(C(=O)C34CC5CC(CC(C5)C3)C4)oc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.49
ALDH1A1 P00352 5/20 0.47
HPGD P15428 5/20 0.47
GAA P10253 2/20 0.47
SLC16A3 O15427 1/20 0.47
MAOB P27338 1/20 0.47
MAPT P10636 1/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP1A2 P05177 1/20 0.47
CA2 P00918 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
P2RX7 Q99572 1/20 0.45
KDM4E B2RXH2 4/20 0.45
HSD17B10 Q99714 3/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA9 Q16790 2/20 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
SCHEMBL5505992 0.90 CASP1 (0.53) ALDH1A1HPGDMAPTCASP3SENP7
SCHEMBL8268440 0.85 ALDH1A1 (0.41) CYP2D6ALDH1A1HPGDGAASLC16A3
SCHEMBL4712242 0.84 ALDH1A1 (0.63) ALDH1A1HPGDGAASLC16A3MAOB
SCHEMBL5503763 0.83 CHRNA7 (0.44) ALDH1A1HPGDGAAMAPTCA2
SCHEMBL5509094 0.82 RAB9A (0.42) ALDH1A1MAPTMEN1KMT2AP2RX7
Hydrochloric Acid SCHEMBL5508193 0.82 CHRNA7 (0.43) ALDH1A1HPGDGAAMAPTCA2
SCHEMBL11511324 0.80 ALDH1A1 (0.72) ALDH1A1HPGDGAASLC16A3MAOB
SCHEMBL5505983 0.80 MAPT (0.58) ALDH1A1HPGDMAPTCASP3SENP7
SCHEMBL5504965 0.79 NPC1 (0.47) ALDH1A1MAPTCASP3SENP7MEN1
SCHEMBL5507406 0.78 MAPT (0.51) ALDH1A1HPGDGAASLC16A3MAOB

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 CYP2D6 671/4885ALDH1A1 934/4885HPGD 430/4885

“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.