SCHEMBL5922017

SCHEMBL5922017

CC(C)c1cc2c(s1)Sc1ccccc1CC2=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
HPGD P15428 4/20 0.53
KDM4E B2RXH2 3/20 0.53
KMT2A Q03164 7/20 0.51
MEN1 O00255 6/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
HTT P42858 1/20 0.51
ATM Q13315 1/20 0.51
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
PTGS2 P35354 1/20 0.43
OPRK1 P41145 1/20 0.43
PDE4D Q08499 1/20 0.43
BLM P54132 1/20 0.42
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.35
BCHE P06276 1/20 0.33
CES1 P23141 1/20 0.33

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
SCHEMBL5922054 0.83 HPGD (0.36) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL11557945 0.78 HPGD (0.62) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL5922102 0.78 ALDH1A1 (0.53) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL5731937 0.72 L3MBTL1 (0.53) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL3749553 0.70 ALDH1A1 (1.00) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL1472457 0.70 ALDH1A1 (0.62) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL5643443 0.68 HPGD (0.78) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL4734710 0.68 KMT2A (0.78) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL5362218 0.68 HPGD (1.00) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL2739332 0.68 PTGS2 (0.74) ALDH1A1HPGDKDM4EKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060270656-A1 Substituted piperazines of azepines, oxazepines and thiazepines ELI LILLY AND COMPANY 2006-11-30 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-20060270656-A1 Substituted piperazines of azepines, oxazepines and thiazepines HRH4, HRH2, HRH3 ALDH1A1 2523/4885HPGD 3357/4885KDM4E 2816/4885

“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.