SCHEMBL6093043

SCHEMBL6093043

CC(C)c1ccc(C=CC(=O)C23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
MAPK1 P28482 1/20 0.54
ALDH1A1 P00352 4/20 0.48
MAPT P10636 3/20 0.48
HPGD P15428 3/20 0.48
SMN1; SMN2 Q16637 5/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
POLB P06746 2/20 0.47
LMNA P02545 4/20 0.45
HTT P42858 2/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
GABBR2 O75899 2/20 0.42
GABBR1 Q9UBS5 2/20 0.42
GABRB1 P18505 1/20 0.42
GABRB2 P47870 1/20 0.42
EGFR P00533 1/20 0.42
TOP2A P11388 1/20 0.41

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
SCHEMBL6090902 0.84 CYP1A2 (0.51) MAPK1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL18317450 0.81 ALDH1A1 (0.45) ALDH1A1MAPTHPGDSMN1; SMN2POLB
SCHEMBL6092094 0.81 HSD11B1 (0.51) ALDH1A1MAPTHPGDSMN1; SMN2POLB
SCHEMBL18325433 0.81 ALDH1A1 (0.45) ALDH1A1MAPTHPGDSMN1; SMN2POLB
SCHEMBL8876584 0.81 HSD11B1 (0.51) ALDH1A1MAPTHPGDSMN1; SMN2POLB
SCHEMBL12040547 0.80 GABBR2 (0.53) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL6091145 0.80 GABBR2 (0.53) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL6093071 0.80 LMNA (0.47) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL6090666 0.80 HSD17B3 (0.55) MAPK1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL6093637 0.80 F3 (0.55) ALDH1A1MAPTSMN1; SMN2NPC1POLB

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 KDM4E 3234/4885MAPK1 2682/4885ALDH1A1 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.