SCHEMBL6420539

SCHEMBL6420539

CCCc1cc(CCCCO)c(CCC)cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.47
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
TDP1 Q9NUW8 4/20 0.44
MAPT P10636 4/20 0.44
TYR P14679 3/20 0.44
ALOX5 P09917 2/20 0.44
ALOX15 P16050 2/20 0.44
HTT P42858 2/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
BCHE P06276 3/20 0.43
RECQL P46063 3/20 0.36
THRB P10828 2/20 0.36
APEX1 P27695 2/20 0.36
RAD52 P43351 2/20 0.36
GAPDH P04406 1/20 0.36
BLM P54132 1/20 0.36
ESR1 P03372 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
SCHEMBL11321268 0.82 ALOX5 (0.63) HMGCRMEN1KMT2ATDP1MAPT
SCHEMBL15868713 0.82 ALOX5 (0.63) MEN1KMT2ATDP1MAPTTYR
SCHEMBL15868714 0.82 ALOX5 (0.63) MEN1KMT2ATDP1MAPTTYR
Butane SCHEMBL27757522 0.81 MAPT (0.42) HMGCRMEN1KMT2ATDP1MAPT
SCHEMBL10790730 0.81 TYR (0.61) HMGCRMEN1KMT2ATDP1MAPT
SCHEMBL1760537 0.81 HMGCR (0.64) HMGCRMEN1KMT2ATDP1MAPT
SCHEMBL28397980 0.80 ALOX5 (0.61) MEN1KMT2ATDP1MAPTTYR
SCHEMBL5675974 0.79 ALOX5 (0.55) HMGCRMEN1KMT2ATDP1MAPT
SCHEMBL14151092 0.79 LMNA (0.59) MEN1KMT2ATDP1MAPTTYR
SCHEMBL143956 0.79 ALOX5 (0.64) HMGCRMEN1KMT2ATDP1MAPT

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 4 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
US-20030139478-A1 Non-halogenated hydroxyalkyl-substituted phenol compounds, antimicrobial compositions containing the same, and methods of using the same HARPER D SCOTT 2003-07-24 US disclosed
WO-2003053897-A1 NON-HALOGENATED HYDROXYALKYL-SUBSTITUTED PHENOL COMPOUNDS, ANTIMICROBIAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME WARNER-LAMBERT COMPANY LLC (US) 2003-07-03 WO 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 (3 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 HMGCR 2590/4885MEN1 4694/4885KMT2A 2995/4885
US-20030139478-A1 Non-halogenated hydroxyalkyl-substituted phenol compounds, antimicrobial compositions containing the same, and methods of using the same HDHD5, TYR, NONO HMGCR 2590/4885MEN1 4694/4885KMT2A 2995/4885
US-20040199028-A1 Non-halogenated hydroxyalkyl-substituted phenol compounds, antimicrobial compositions containing the same, and methods of using the same HDHD5, TYR, NONO HMGCR 2590/4885MEN1 4694/4885KMT2A 2995/4885

“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.