SCHEMBL3765150

SCHEMBL3765150

CCOC(=O)C1(CNC(=O)C(C)c2ccc(OC(F)C(F)F)cc2C)CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
THRB P10828 2/20 0.37
SMYD3 Q9H7B4 2/20 0.35
CNR2 P34972 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
P2RX7 Q99572 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
TP53 P04637 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL3757635 0.85 POLB (0.35) POLBTHRBKMT2AMEN1ALDH1A1
SCHEMBL3763749 0.69 TDP1 (0.47) THRB
SCHEMBL3770073 0.68 TDP1 (0.40) THRBKMT2AMEN1KDM4E
SCHEMBL16463001 0.67 OPRM1 (0.36) THRBKMT2AMEN1MAPT
SCHEMBL3765148 0.66 TDP1 (0.38) KMT2AMEN1KDM4E
SCHEMBL7949762 0.65 MEN1 (0.38) KMT2AMEN1P2RX7ALDH1A1KDM4E
SCHEMBL7950107 0.65 MEN1 (0.38) KMT2AMEN1P2RX7ALDH1A1KDM4E
SCHEMBL7958073 0.65 MEN1 (0.38) KMT2AMEN1P2RX7ALDH1A1KDM4E
SCHEMBL2433660 0.65 TSHR (0.36) THRBKMT2AMEN1MAPTHTT
SCHEMBL1756761 0.65 LMNA (0.53) POLBSMYD3KMT2AMEN1LMNA

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-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-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-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 POLB 1869/4885THRB 4096/4885SMYD3 1522/4885
US-20140031577-A1 Haloalkylmethyleneoxyphenyl-Substituted Ketoenols PHYKPL, KCNE1, CSNK1E POLB 1869/4885THRB 4096/4885SMYD3 1522/4885
US-20100311593-A1 Haloalkylmethyleneoxyphenyl-substituted ketoenols PHYKPL, KCNE1, CSNK1E POLB 1869/4885THRB 4096/4885SMYD3 1522/4885

“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.