SCHEMBL3757635

SCHEMBL3757635

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ATM Q13315 1/20 0.33
THRB P10828 2/20 0.32
GPR88 Q9GZN0 1/20 0.32
CTSD P07339 1/20 0.32
FKBP1A P62942 1/20 0.31
FPR2 P25090 1/20 0.31
SCN9A Q15858 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL3765150 0.85 POLB (0.39) POLBKMT2AMEN1KDM4ETHRB
SCHEMBL16463001 0.83 OPRM1 (0.36) KMT2AMEN1THRBCTSDMAPT
SCHEMBL2433660 0.80 TSHR (0.36) KMT2AMEN1THRBCTSDMAPT
SCHEMBL7958073 0.79 MEN1 (0.38) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL7950107 0.79 MEN1 (0.38) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL7949762 0.79 MEN1 (0.38) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL7964594 0.78 SMN1; SMN2 (0.36) KMT2AMEN1MAPTALDH1A1
SCHEMBL3732991 0.77 ALDH1A1 (0.32) POLBKMT2AMEN1ATMMAPT
SCHEMBL7949626 0.75 CXCR5 (0.41) KMT2AMEN1
SCHEMBL7960124 0.75 CXCR5 (0.41) KMT2AMEN1

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 1869/4885KMT2A 885/4885MEN1 4832/4885
US-20140031577-A1 Haloalkylmethyleneoxyphenyl-Substituted Ketoenols PHYKPL, KCNE1, CSNK1E POLB 1869/4885KMT2A 885/4885MEN1 4832/4885
US-20100311593-A1 Haloalkylmethyleneoxyphenyl-substituted ketoenols PHYKPL, KCNE1, CSNK1E POLB 1869/4885KMT2A 885/4885MEN1 4832/4885

“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.