SCHEMBL6813378

SCHEMBL6813378

CC(=O)OC/C=C/c1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.50
THRB P10828 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NFE2L2 Q16236 1/20 0.49
MAPT P10636 2/20 0.48
P4HB P07237 1/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
HSP90AA1 P07900 1/20 0.48
PKM P14618 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HTT P42858 2/20 0.47
MAOA P21397 1/20 0.47
FBP1 P09467 1/20 0.47
KDM4E B2RXH2 1/20 0.46
EPOR P19235 1/20 0.45

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
SCHEMBL1331246 1.00 MAOB (0.50) MAOBTHRBL3MBTL1NFE2L2MAPT
SCHEMBL9998122 0.87 TRPV1 (0.43) MAOBTHRBL3MBTL1EPOR
SCHEMBL9998120 0.87 TRPV1 (0.43) MAOBTHRBL3MBTL1EPOR
SCHEMBL28669378 0.86 P4HB (0.48) MAOBTHRBL3MBTL1NFE2L2MAPT
SCHEMBL9998506 0.81 NFE2L2 (0.50) MAOBNFE2L2MAPTMEN1KMT2A
SCHEMBL9998507 0.81 NFE2L2 (0.50) MAOBNFE2L2MAPTMEN1KMT2A
SCHEMBL27279242 0.81 MAOB (0.48) MAOBTHRBL3MBTL1NFE2L2MAPT
SCHEMBL27628628 0.81 LCK (0.49) MAOBHSP90AA1MAOAFBP1
SCHEMBL10526143 0.80 MAOB (0.45) MAOBTHRBL3MBTL1NFE2L2MAPT
SCHEMBL10526138 0.80 MAOB (0.45) MAOBTHRBL3MBTL1NFE2L2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170805-B1 METHODS OF SYNTHESIZING CINACALCET AND SALTS THEREOF AMGEN INC (US) 2016-03-16 EP disclosed
US-8183415-B2 Methods of synthesizing cinacalcet and salts thereof AMGEN, INC. (US) 2012-05-22 US disclosed
US-20110281954-A1 METHODS OF SYNTHESIZING CINACALCET AND SALTS THEREOF AMGEN INC. 2011-11-17 US disclosed
US-20090137837-A1 METHODS OF SYNTHESIZING CINACALCET AND SALTS THEREOF AMGEN INC. 2009-05-28 US disclosed
US-20090137837-A1 METHODS OF SYNTHESIZING CINACALCET AND SALTS THEREOF AMGEN INC. 2009-05-28 US disclosed
WO-2009002427-A2 METHODS OF SYNTHESIZING CINACALCET AND SALTS THEREOF AMGEN INC. (US) 2008-12-31 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-20090137837-A1 METHODS OF SYNTHESIZING CINACALCET AND SALTS THEREOF ACE, SI, REN MAOB 4657/4885THRB 4705/4885L3MBTL1 4359/4885
US-20110281954-A1 METHODS OF SYNTHESIZING CINACALCET AND SALTS THEREOF ACE, SI, REN MAOB 4657/4885THRB 4705/4885L3MBTL1 4359/4885

“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.