SCHEMBL5509233

SCHEMBL5509233

COc1cc(C(=O)C=CC23CC4CC(CC(C4)C2)C3)cc(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.52
TNFRSF1A P19438 6/20 0.49
ABCB1 P08183 2/20 0.49
TUBB1 Q9H4B7 6/20 0.48
TUBB4A P04350 3/20 0.46
TUBB P07437 3/20 0.46
TUBA3C P0DPH7 3/20 0.46
TUBA1B P68363 3/20 0.46
TUBA4A P68366 3/20 0.46
TUBB4B P68371 3/20 0.46
TUBB3 Q13509 3/20 0.46
TUBB2A Q13885 3/20 0.46
TUBB8 Q3ZCM7 3/20 0.46
TUBA3E Q6PEY2 3/20 0.46
TUBA1A Q71U36 3/20 0.46
TUBA1C Q9BQE3 3/20 0.46
TUBB6 Q9BUF5 3/20 0.46
TUBB2B Q9BVA1 3/20 0.46
KRAS P01116 1/20 0.46
MEN1 O00255 2/20 0.46

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
SCHEMBL5504502 0.83 ABCG2 (0.50) ABCG2MEN1KMT2A
SCHEMBL4728510 0.81 PKM (0.46) ABCG2TNFRSF1AABCB1MEN1KMT2A
SCHEMBL4729406 0.81 PKM (0.46) ABCG2TNFRSF1AABCB1MEN1KMT2A
SCHEMBL6093635 0.78 CNR2 (0.55) TNFRSF1AMEN1KMT2A
SCHEMBL5505975 0.76 MEN1 (0.58) ABCG2MEN1KMT2APOLBGAA
SCHEMBL4729592 0.76 PDGFRB (0.42) MEN1KMT2A
SCHEMBL5510873 0.75 ABCG2 (0.56) ABCG2MEN1KMT2AGAA
SCHEMBL28797383 0.73 ABCG2 (0.52) ABCG2TNFRSF1AABCB1TUBB1TUBB4A
SCHEMBL4726425 0.73 MAOA (0.47) MEN1KMT2A
SCHEMBL4729401 0.73 MAOA (0.47) MEN1KMT2A

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 3170/4885TNFRSF1A 4570/4885ABCB1 527/4885

“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.