SCHEMBL12201404

SCHEMBL12201404

CN(CC[N+](C)(C)CCS)c1ccccc1C=O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
THRB P10828 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TRIM24 O15164 1/20 0.30
TRIM33 Q9UPN9 1/20 0.30

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
SCHEMBL13881255 0.92 MEN1 (0.32) MEN1LMNATHRBBLMKMT2A
SCHEMBL2532490 0.78 LMNA (0.41) MEN1LMNATHRBBLMKMT2A
SCHEMBL12201233 0.78 MEN1 (0.35) MEN1LMNATHRBBLMKMT2A
SCHEMBL2425306 0.77 MEN1 (0.44) MEN1LMNATHRBBLMKMT2A
SCHEMBL12451597 0.77 MEN1 (0.30) MEN1LMNATHRBBLMKMT2A
SCHEMBL13881144 0.73
SCHEMBL14521051 0.73 MEN1 (0.43) MEN1LMNATHRBBLMKMT2A
SCHEMBL4660430 0.71 LMNA (0.41) MEN1LMNATHRBBLMKMT2A
SCHEMBL7293971 0.71 TDP1 (0.41) MEN1LMNATHRBBLMKMT2A
SCHEMBL6223613 0.70 ALDH1A1 (0.43) MEN1LMNATHRBBLMKMT2A

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-8034125-B2 Dye composition comprising at least one colorless disulfide/thiol precursor, and dyeing process using the composition L'OREAL S.A. (FR) 2011-10-11 US disclosed
US-20110016642-A1 DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION L'OREAL S.A. (FR) 2011-01-27 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-20110016642-A1 DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION KRT18, SQOR, TST MEN1 4336/4885LMNA 3024/4885THRB 3359/4885

“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.