SCHEMBL15820573

SCHEMBL15820573

CCCCC[N+]1(OC(C)=O)CCCC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
ALDH1A1 P00352 1/20 0.36
CES2 O00748 3/20 0.36
KMT2A Q03164 2/20 0.33
NAAA Q02083 2/20 0.32
FAAH O00519 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
BBOX1 O75936 2/20 0.32
CES1 P23141 2/20 0.31
TSHR P16473 2/20 0.31
MEN1 O00255 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PTGS2 P35354 1/20 0.30
AKR1B1 P15121 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
SCHEMBL16701182 0.98 LMNA (0.41) LMNAAPOBEC3AAPOBEC3GALDH1A1CES2
SCHEMBL16700361 0.94 ALDH1A1 (0.38) LMNAAPOBEC3AAPOBEC3GALDH1A1CES2
SCHEMBL15820187 0.86 LMNA (0.35) LMNAAPOBEC3AAPOBEC3GALDH1A1BBOX1
SCHEMBL10551152 0.85 LMNA (0.38) LMNAAPOBEC3AAPOBEC3GALDH1A1KMT2A
SCHEMBL5801688 0.83 CDC25A (0.40) LMNAAPOBEC3AAPOBEC3GCES2
SCHEMBL16569932 0.82 LMNA (0.37) LMNAAPOBEC3AAPOBEC3GCES2KMT2A
SCHEMBL1695937 0.81 LMNA (0.46) LMNAALDH1A1CES2KMT2ANAAA
SCHEMBL16700592 0.78 FAAH (0.40) CES2KMT2AFAAHCES1MEN1
SCHEMBL15209391 0.77 ALDH1A1 (0.33) ALDH1A1CES2KMT2AMEN1
SCHEMBL16701138 0.74 FAAH (0.35) CES2KMT2AFAAHCES1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150335547-A1 ORAL CARE COMPOSITION CONTAINING IONIC LIQUIDS COLGATE-PALMOLIVE COMPANY (US) 2015-11-26 US disclosed
EP-2934469-A2 ORAL CARE COMPOSITION CONTAINING IONIC LIQUIDS Colgate-Palmolive Company (US) 2015-10-28 EP disclosed
WO-2014098871-A2 ORAL CARE COMPOSITION CONTAINING IONIC LIQUIDS COLGATE-PALMOLIVE COMPANY (US) 2014-06-26 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 (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-20150335547-A1 ORAL CARE COMPOSITION CONTAINING IONIC LIQUIDS MCOLN3, TAS2R39, TAS2R40 LMNA 1795/4885APOBEC3A 4021/4885APOBEC3G 3658/4885

“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.