SCHEMBL6415947

SCHEMBL6415947

CC(O)CCc1ccc(O)cc1C(C)C

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYR P14679 7/20 0.71
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX5 P09917 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL11402639 0.85 TYR (0.50) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL10587687 0.83 TYR (0.49) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL3841013 0.81 TYR (0.47) TYRADRA2AMEN1CYP3A4MAPT
SCHEMBL28237575 0.80 TYR (0.62) TYRADRA2AADRA2BADRA2CMEN1
SCHEMBL8130080 0.79 TYR (0.73) TYRTP53CYP3A4ALOX15
SCHEMBL9849365 0.79 TYR (0.62) TYRADRA2AADRA2BADRA2CMEN1
SCHEMBL6401475 0.79 TYR (0.43) TYRADRA2AADRA2BADRA2CMEN1
SCHEMBL19658048 0.79 TYR (0.43) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL28049364 0.77 POLB (0.50) TYRTSHR
SCHEMBL11700185 0.77 GABRA1 (0.45) TYRCYP3A4TSHR

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-20050277700-A1 Non-halogenated hydroxyalkyl-substituted phenol compounds, antimicrobial compositions containing the same, and methods of using the same MCNEIL-PPC, INC 2005-12-15 US disclosed
US-20040199028-A1 Non-halogenated hydroxyalkyl-substituted phenol compounds, antimicrobial compositions containing the same, and methods of using the same MCNEIL-PPC, INC 2004-10-07 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 (2 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-20050277700-A1 Non-halogenated hydroxyalkyl-substituted phenol compounds, antimicrobial compositions containing the same, and methods of using the same HDHD5, TYR, NONO TYR 2/4885ADRA2A 4022/4885ADRA2B 4180/4885
US-20040199028-A1 Non-halogenated hydroxyalkyl-substituted phenol compounds, antimicrobial compositions containing the same, and methods of using the same HDHD5, TYR, NONO TYR 2/4885ADRA2A 4022/4885ADRA2B 4180/4885

“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.