SCHEMBL13651

SCHEMBL13651

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

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.56
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 2/20 0.47
ACHE P22303 3/20 0.41
NR2E1 Q9Y466 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
MCHR1 Q99705 1/20 0.39
ADRB2 P07550 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
CASR P41180 1/20 0.38
ALK Q9UM73 1/20 0.36
MAOB P27338 1/20 0.36
AOC3 Q16853 1/20 0.36
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35

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
SCHEMBL13761 0.88 ALOX15 (0.40) ALOX15KMT2ASMN1; SMN2ACHECYP1A2
SCHEMBL13824 0.85 SCN4A (0.44) ALOX15KMT2ASMN1; SMN2ACHEMAOB
SCHEMBL14850080 0.84 KMT2A (0.42) ALOX15KMT2ASMN1; SMN2TSHRNR2E1
SCHEMBL17486523 0.84 KMT2A (0.42) ALOX15KMT2ASMN1; SMN2TSHRNR2E1
SCHEMBL19719294 0.84 KMT2A (0.42) ALOX15KMT2ASMN1; SMN2TSHRNR2E1
SCHEMBL773187 0.79 ALOX15 (0.68) ALOX15KMT2ASMN1; SMN2TSHRACHE
SCHEMBL773194 0.78 ALOX15 (0.67) ALOX15KMT2ASMN1; SMN2TSHRACHE
SCHEMBL772760 0.77 SMN1; SMN2 (0.48) KMT2ASMN1; SMN2TSHRNR2E1KDM4E
SCHEMBL13672 0.77 FFAR4 (0.46) SMN1; SMN2TSHRCYP1A2MAOBAOC3
SCHEMBL13700996 0.76 L3MBTL1 (0.44) KDM4EFFAR1FFAR4

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-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 (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-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT ALOX15 88/4885KMT2A 4518/4885SMN1; SMN2 3979/4885

“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.