SCHEMBL13672

SCHEMBL13672

Cc1ccc(OC(F)(F)F)cc1OCCCN

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 7/20 0.46
FFAR1 O14842 4/20 0.46
CYP3A4 P08684 1/20 0.39
KCNH2 Q12809 1/20 0.39
CACNA1C Q13936 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
BRD4 O60885 1/20 0.38
SLC7A5 Q01650 3/20 0.38
TSHR P16473 2/20 0.38
GPR3 P46089 1/20 0.37
PPARA Q07869 2/20 0.37
TTR P02766 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C8 P10632 1/20 0.37
CHRM1 P11229 1/20 0.37
CYP2C9 P11712 1/20 0.37
ADRA1A P35348 1/20 0.37
PPARG P37231 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL14853479 0.88 FFAR4 (0.54) FFAR4FFAR1PPARAPPARGPPARD
SCHEMBL14850046 0.82 FFAR4 (0.39) FFAR4FFAR1BRD4SLC7A5GPR3
SCHEMBL13998 0.82 FFAR4 (0.39) FFAR4FFAR1CYP3A4KCNH2CACNA1C
SCHEMBL17486448 0.82 TSHR (0.41) TSHRPPARATTRCYP1A2CYP2C8
SCHEMBL13762 0.81 PPARG (0.40) FFAR4FFAR1CYP3A4KCNH2CACNA1C
SCHEMBL13700996 0.81 L3MBTL1 (0.44) FFAR4FFAR1GPR3
SCHEMBL14036 0.81 TAAR1 (0.45) CYP3A4TSHRADRA1ATDP1
SCHEMBL14853290 0.81 CYP1A2 (0.37) FFAR4FFAR1KCNH2GPR3CYP1A2
SCHEMBL14850073 0.79 FFAR4 (0.41) FFAR4FFAR1BRD4SLC7A5PPARA
SCHEMBL14853438 0.79 FFAR4 (0.44) FFAR4FFAR1SLC7A5PPARAPPARG

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 FFAR4 4452/4885FFAR1 4404/4885CYP3A4 1470/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT FFAR4 4452/4885FFAR1 4404/4885CYP3A4 1470/4885

“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.