SCHEMBL13762

SCHEMBL13762

Cc1ccc(OC(F)(F)F)cc1OCCC(C)N

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
SCN10A Q9Y5Y9 4/20 0.40
FFAR4 Q5NUL3 5/20 0.38
FFAR1 O14842 2/20 0.38
HRH4 Q9H3N8 1/20 0.38
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
GPR3 P46089 2/20 0.35
CYP3A4 P08684 1/20 0.34
KCNH2 Q12809 1/20 0.34
CACNA1C Q13936 1/20 0.34
SCN5A Q14524 1/20 0.34
PDE2A O00408 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SCN8A Q9UQD0 1/20 0.34

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
SCHEMBL14310 0.84 SCN10A (0.38) PPARGPPARDPPARASCN10AFFAR4
SCHEMBL13672 0.81 FFAR4 (0.46) PPARGPPARDPPARAFFAR4FFAR1
SCHEMBL13700996 0.81 L3MBTL1 (0.44) FFAR4FFAR1GPR3PDE2A
SCHEMBL13998 0.79 FFAR4 (0.39) PPARGPPARDPPARASCN10AFFAR4
SCHEMBL13824 0.78 SCN4A (0.44) PPARGPPARDPPARASCN10AFFAR4
SCHEMBL13761 0.75 ALOX15 (0.40) PPARGPPARDPPARAFFAR4FFAR1
SCHEMBL14853144 0.75 SLC6A2 (0.38) PPARGPPARDPPARASCN10AFFAR4
SCHEMBL20650170 0.75 GPR3 (0.46) FFAR4FFAR1SLC6A2SLC6A3GPR3
SCHEMBL14853290 0.74 CYP1A2 (0.37) SCN10AFFAR4FFAR1HRH4GPR3
SCHEMBL13651 0.74 ALOX15 (0.56) FFAR4FFAR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9845297-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-12-19 US disclosed
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2016-02-04 US disclosed
US-9216979-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-12-22 US disclosed
US-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2013-04-11 US disclosed
WO-2011047323-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2011-04-21 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 (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-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT PPARG 1836/4885PPARD 1550/4885PPARA 923/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT PPARG 1836/4885PPARD 1550/4885PPARA 923/4885

“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.