SCHEMBL3757633

SCHEMBL3757633

CCOC(=O)C1(NC(=O)Cc2c(C)cc(OCC(F)(F)F)cc2C)CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 5/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
PAX8 Q06710 2/20 0.36
CNR2 P34972 3/20 0.33
PLAU P00749 1/20 0.33
PLAT P00750 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
THRB P10828 2/20 0.32
HTT P42858 3/20 0.32
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
S1PR2 O95136 1/20 0.32
S1PR4 O95977 1/20 0.32
GAA P10253 1/20 0.32
XBP1 P17861 1/20 0.32

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
SCHEMBL3765146 0.84 NPC1 (0.38) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL13002845 0.82 LIPE (0.34) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL3164180 0.81 SMN1; SMN2 (0.34) SMN1; SMN2MEN1KMT2ACNR2PLAU
SCHEMBL2433657 0.78 L3MBTL1 (0.35) SMN1; SMN2MEN1KMT2APLAUPLAT
SCHEMBL13002650 0.78 POLB (0.34) SMN1; SMN2NPC1LMNAMEN1KMT2A
SCHEMBL15450058 0.78 THRB (0.40) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL342455 0.77 PLAU (0.36) SMN1; SMN2NPC1LMNAMEN1KMT2A
SCHEMBL3763797 0.77 SMN1; SMN2 (0.35) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL7958068 0.76 MAPT (0.40) NPC1MEN1KMT2ATHRBMAPT
SCHEMBL7949759 0.76 MAPT (0.40) NPC1MEN1KMT2ATHRBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406216-B1 HALOGENALKYLMETHYLENOXY-PHENYL-SUBSTITUTED KETOENOLS BAYER IP GMBH (DE) 2017-04-19 EP disclosed
EP-3153503-A1 INTERMEDIATES FOR HALOGENOALKYLMETHYLENOXY-PHENYL-SUBSTITUTED KETOENOLS Bayer Intellectual Property GmbH (DE) 2017-04-12 EP disclosed
US-9045390-B2 Haloalkylmethyleneoxyphenyl-substituted ketoenols BAYER CROPSCIENCE AG (DE) 2015-06-02 US disclosed
US-9045390-B2 Haloalkylmethyleneoxyphenyl-substituted ketoenols BAYER CROPSCIENCE AG (DE) 2015-06-02 US disclosed
US-20140213813-A9 Haloalkylmethyleneoxyphenyl-Substituted Ketoenols BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-31 US disclosed
US-20140213813-A9 Haloalkylmethyleneoxyphenyl-Substituted Ketoenols BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-31 US disclosed
US-20140031577-A1 Haloalkylmethyleneoxyphenyl-Substituted Ketoenols BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-30 US disclosed
US-20140031577-A1 Haloalkylmethyleneoxyphenyl-Substituted Ketoenols BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-30 US disclosed
US-8518985-B2 Haloalkylmethyleneoxyphenyl-substituted ketoenols BAYER CROPSCIENCE AG (DE) 2013-08-27 US disclosed
US-8518985-B2 Haloalkylmethyleneoxyphenyl-substituted ketoenols BAYER CROPSCIENCE AG (DE) 2013-08-27 US disclosed
US-20100311593-A1 Haloalkylmethyleneoxyphenyl-substituted ketoenols BAYER CROPSCIENCE AG (DE) 2010-12-09 US 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 (3 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-20140213813-A9 Haloalkylmethyleneoxyphenyl-Substituted Ketoenols PHYKPL, KCNE1, CSNK1E SMN1; SMN2 4677/4885NPC1 2885/4885RAB9A 4495/4885
US-20140031577-A1 Haloalkylmethyleneoxyphenyl-Substituted Ketoenols PHYKPL, KCNE1, CSNK1E SMN1; SMN2 4677/4885NPC1 2885/4885RAB9A 4495/4885
US-20100311593-A1 Haloalkylmethyleneoxyphenyl-substituted ketoenols PHYKPL, KCNE1, CSNK1E SMN1; SMN2 4677/4885NPC1 2885/4885RAB9A 4495/4885

“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.