SCHEMBL6414244

SCHEMBL6414244

CC(O)CCc1ccc(O)c(C(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.46
THRA P10827 8/20 0.46
THRB P10828 8/20 0.46
ADRB2 P07550 2/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 2/20 0.41
SLC22A1 O15245 1/20 0.41
CA12 O43570 1/20 0.41
EGFR P00533 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
CA3 P07451 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
DRD2 P14416 1/20 0.41
ADRA2B P18089 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
SCHEMBL12949905 0.87 THRA (0.51) THRATHRBLMNAKDM4EMAPK1
SCHEMBL3911899 0.83 IGF1R (0.52) THRATHRBHSP90AA1HSP90AB1
SCHEMBL1260613 0.83 ALOX15 (0.57) ADRB2LMNAKDM4EMAPK1SLC22A1
SCHEMBL1860686 0.81 CNR1 (0.60) THRATHRBKDM4EDRD2DRD1
SCHEMBL9502934 0.81 GRIN2D (0.48) THRATHRBHSP90AA1HSP90AB1
SCHEMBL8498153 0.80 ESR1 (0.57) TYRADRB2LMNAKDM4EMAPK1
SCHEMBL6419829 0.79 GSR (0.53) TYRLMNACA1CA2SLC6A2
SCHEMBL4392926 0.79 THRA (0.55) THRATHRBLMNAKDM4EMAPK1
SCHEMBL20920805 0.79 IGF1R (0.53) THRATHRBADRB2ADORA3ADRA2B
SCHEMBL6417134 0.79 IGF1R (0.47) THRATHRBKDM4EHSP90AA1HSP90AB1

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 2/4885THRA 3811/4885THRB 4357/4885
US-20040199028-A1 Non-halogenated hydroxyalkyl-substituted phenol compounds, antimicrobial compositions containing the same, and methods of using the same HDHD5, TYR, NONO TYR 2/4885THRA 3811/4885THRB 4357/4885

“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.