SCHEMBL13998

SCHEMBL13998

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 5/20 0.39
FFAR1 O14842 2/20 0.39
PPARA Q07869 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TTR P02766 1/20 0.38
CYP2C8 P10632 1/20 0.38
CHRM1 P11229 1/20 0.38
TSHR P16473 1/20 0.38
ADRA1A P35348 1/20 0.38
PPARG P37231 1/20 0.38
HTR2B P41595 1/20 0.38
SLCO1B3 Q9NPD5 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CISD1 Q9NZ45 1/20 0.38
SLCO1B1 Q9Y6L6 1/20 0.38
PIM1 P11309 1/20 0.37
KCNH2 Q12809 5/20 0.37
SCN10A Q9Y5Y9 5/20 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
SCHEMBL14850087 0.84 PIM1 (0.36) FFAR4FFAR1PPARACYP1A2CYP2C9
SCHEMBL13672 0.82 FFAR4 (0.46) FFAR4FFAR1PPARACYP1A2CYP2C9
SCHEMBL13762 0.79 PPARG (0.40) FFAR4FFAR1PPARASMN1; SMN2PPARG
SCHEMBL13700996 0.79 L3MBTL1 (0.44) FFAR4FFAR1GPR3
SCHEMBL14853146 0.77 SCN10A (0.40) FFAR4FFAR1CYP1A2CYP2C9PIM1
SCHEMBL20650170 0.76 GPR3 (0.46) FFAR4FFAR1CYP1A2CYP2C9SMN1; SMN2
SCHEMBL14853290 0.75 CYP1A2 (0.37) FFAR4FFAR1CYP1A2CYP2C9KCNH2
SCHEMBL13659 0.74 KCNH2 (0.37) FFAR4CYP1A2CYP2C9SMN1; SMN2KCNH2
SCHEMBL13824 0.73 SCN4A (0.44) FFAR4FFAR1PPARASMN1; SMN2PPARG
SCHEMBL13761 0.73 ALOX15 (0.40) FFAR4FFAR1PPARACYP1A2SMN1; 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 FFAR4 4452/4885FFAR1 4404/4885PPARA 923/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT FFAR4 4452/4885FFAR1 4404/4885PPARA 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.