SCHEMBL13761

SCHEMBL13761

Cc1ccc(OC(F)(F)F)cc1OCC(F)CN

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.40
MAOB P27338 1/20 0.37
AOC3 Q16853 1/20 0.37
FFAR4 Q5NUL3 5/20 0.36
FFAR1 O14842 2/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
GRIN2B Q13224 1/20 0.35
GPR3 P46089 1/20 0.35
ACHE P22303 1/20 0.34
PPARD Q03181 3/20 0.34
CYP3A4 P08684 1/20 0.34
KCNH2 Q12809 1/20 0.34
CACNA1C Q13936 1/20 0.34
SCN5A Q14524 1/20 0.34
CYP1A2 P05177 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
SLC6A4 P31645 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
SCHEMBL13651 0.88 ALOX15 (0.56) ALOX15MAOBAOC3FFAR4FFAR1
SCHEMBL13824 0.86 SCN4A (0.44) ALOX15MAOBAOC3FFAR4FFAR1
SCHEMBL14850082 0.84 MAOB (0.35) MAOBAOC3GPR3PPARDPPARA
SCHEMBL13672 0.78 FFAR4 (0.46) MAOBAOC3FFAR4FFAR1SMN1; SMN2
SCHEMBL13700996 0.77 L3MBTL1 (0.44) FFAR4FFAR1GPR3
SCHEMBL14853290 0.77 CYP1A2 (0.37) MAOBAOC3FFAR4FFAR1HRH4
SCHEMBL13653 0.77 PPARD (0.43) MAOBAOC3FFAR4FFAR1KMT2A
SCHEMBL14853146 0.76 SCN10A (0.40) MAOBAOC3FFAR4FFAR1HRH4
SCHEMBL17277437 0.75 F2 (0.38) MAOBAOC3FFAR4KMT2ASMN1; SMN2
SCHEMBL14853145 0.75 CHRM5 (0.39) MAOBAOC3FFAR4GRIN2BGPR3

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 ALOX15 88/4885MAOB 864/4885AOC3 218/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT ALOX15 88/4885MAOB 864/4885AOC3 218/4885

“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.