SCHEMBL6093637

SCHEMBL6093637

COc1ccc(C=CC(=O)C23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F3 P13726 2/20 0.55
THRB P10828 1/20 0.54
ATM Q13315 1/20 0.54
LMNA P02545 2/20 0.53
MAPT P10636 2/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
GAA P10253 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
GSK3B P49841 2/20 0.53
P2RX7 Q99572 1/20 0.52
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
TOP2A P11388 1/20 0.49

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
SCHEMBL5504507 0.86 MEN1 (0.50) LMNAMAPTMEN1ALDH1A1POLB
SCHEMBL5505977 0.84 MAOB (0.53) LMNAMAPTMEN1ALDH1A1POLB
SCHEMBL6092094 0.81 HSD11B1 (0.51) LMNAMAPTMEN1ALDH1A1POLB
SCHEMBL6090902 0.81 CYP1A2 (0.51) LMNAMAPTMEN1ALDH1A1POLB
SCHEMBL8876584 0.81 HSD11B1 (0.51) LMNAMAPTMEN1ALDH1A1POLB
SCHEMBL18325433 0.81 ALDH1A1 (0.45) LMNAMAPTMEN1ALDH1A1POLB
SCHEMBL18317450 0.81 ALDH1A1 (0.45) LMNAMAPTMEN1ALDH1A1POLB
SCHEMBL6091145 0.80 GABBR2 (0.53) F3LMNAMAPTMEN1ALDH1A1
SCHEMBL12040547 0.80 GABBR2 (0.53) F3LMNAMAPTMEN1ALDH1A1
SCHEMBL5510876 0.80 JUN (0.60) ATMLMNAMAPTMEN1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060074083-A1 Cyclic and acyclic propenones for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2006-04-06 US claimed
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 F3 4055/4885THRB 2278/4885ATM 3921/4885

“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.