SCHEMBL6092524

SCHEMBL6092524

O=C(C=CC12CC3CC(CC(C3)C1)C2)c1ccccc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.50
ALDH1A1 P00352 4/20 0.44
LMNA P02545 3/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 2/20 0.41
ATM Q13315 2/20 0.41
HSP90AA1 P07900 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAOB P27338 2/20 0.39
HPGD P15428 3/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CNR2 P34972 2/20 0.36
FAAH O00519 1/20 0.35

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
SCHEMBL6091141 0.78 FAAH (0.49) P2RX7ALDH1A1LMNAMAPTKDM4E
SCHEMBL18317449 0.76 RAB9A (0.45) P2RX7ALDH1A1LMNAMAPTMAOB
SCHEMBL6092078 0.73 SMN1; SMN2 (0.44) P2RX7ALDH1A1LMNAMAPTATM
SCHEMBL4731777 0.72 RAB9A (0.51) P2RX7ALDH1A1LMNATP53MAPT
SCHEMBL4728914 0.72 RAB9A (0.51) P2RX7ALDH1A1LMNATP53MAPT
SCHEMBL4729642 0.72 CNR2 (0.46) P2RX7ALDH1A1KDM4EHPGDHTT
SCHEMBL6092587 0.71 ALDH1A1 (0.51) ALDH1A1LMNATP53MAPTKDM4E
SCHEMBL1801365 0.70 ALDH1A1 (0.50) ALDH1A1LMNATP53MAPTATM
SCHEMBL6092329 0.70 KMT2A (0.48) P2RX7ALDH1A1LMNAKDM4EHTT
SCHEMBL6090897 0.70 P2RX7 (0.46) P2RX7ALDH1A1LMNAMAPTKDM4E

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 P2RX7 373/4885ALDH1A1 934/4885LMNA 2359/4885

“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.