SCHEMBL4045393

SCHEMBL4045393

CC(C)(C)OC(=O)NCCCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.45
CA1 P00915 7/20 0.45
CA2 P00918 7/20 0.45
CA9 Q16790 7/20 0.45
STK17B O94768 1/20 0.43
STK17A Q9UEE5 1/20 0.43
CYP1A1 P04798 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2B6 P20813 1/20 0.42
CYP2C19 P33261 1/20 0.42
CYP3A43 Q9HB55 1/20 0.42
TDP1 Q9NUW8 1/20 0.39
IDO1 P14902 2/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 1/20 0.38
DRD2 P14416 2/20 0.37
PDK2 Q15119 1/20 0.37

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
SCHEMBL7976286 0.89 HTT (0.40) CYP2D6CYP2C19TDP1MEN1GAA
SCHEMBL8077587 0.86 HTT (0.39) CYP2D6CYP2C19TDP1MEN1KMT2A
SCHEMBL7979325 0.85 HTT (0.40) CA12CA1CA2CA9CYP2D6
SCHEMBL7976279 0.83 ALDH1A1 (0.40) CA12CA2CA9CYP2D6CYP2C19
SCHEMBL7979456 0.82 CYP1A2 (0.39) CYP2D6CYP2C19TDP1MEN1KMT2A
SCHEMBL3266568 0.82 HTT (0.52) CA12CA1CA2CA9HTT
SCHEMBL7982373 0.81 ACHE (0.40) HTT
SCHEMBL8060882 0.81 RAB9A (0.50) CYP2C19MEN1GAAKMT2AHTT
SCHEMBL4038788 0.81 STK17B (0.50) CA12CA1CA2CA9STK17B
SCHEMBL7965715 0.80 KDM4E (0.41) CYP2D6CYP2C19TDP1MEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576224-B2 Insecticidal (dihalopropenyl) phenylalkyl substituted dihydrobenzofuran and dihydrobenzopyran derivatives FMC CORPORATION (US) 2009-08-18 US disclosed
US-7576224-B2 Insecticidal (dihalopropenyl) phenylalkyl substituted dihydrobenzofuran and dihydrobenzopyran derivatives FMC CORPORATION (US) 2009-08-18 US disclosed
US-7576224-B2 Insecticidal (dihalopropenyl) phenylalkyl substituted dihydrobenzofuran and dihydrobenzopyran derivatives FMC CORPORATION (US) 2009-08-18 US disclosed
EP-1620421-B1 INSECTICIDAL (DIHALOPROPENYL) PHENYLALKYL SUBSTITUTED DIHYDROBENZOFURAN AND DIHYDROBENZOPYRAN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2009-06-24 EP disclosed
EP-1620421-A4 INSECTICIDAL (DIHALOPROPENYL) PHENYLALKYL SUBSTITUTED DIHYDROBENZOFURAN AND DIHYDROBENZOPYRAN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2007-10-31 EP disclosed
US-20060094776-A1 Insecticidal (dihalopropenyl) phenylalkyl substituted dihydrobenzofuran and dihydrobenzopyran derivatives FMC CORPORATION 2006-05-04 US disclosed
EP-1620421-A2 INSECTICIDAL (DIHALOPROPENYL) PHENYLALKYL SUBSTITUTED DIHYDROBENZOFURAN AND DIHYDROBENZOPYRAN DERIVATIVES FMC CORPORATION (US) 2006-02-01 EP disclosed
US-6987194-B2 Insecticidal (dihalopropenyl) phenylalkyl substituted dihydrobenzofuran and dihydrobenzopyran derivatives FMC CORPORATION (US) 2006-01-17 US disclosed
WO-2004098283-A2 INSECTICIDAL (DIHALOPROPENYL) PHENYLALKYL SUBSTITUTED DIHYDROBENZOFURAN AND DIHYDROBENZOPYRAN DERIVATIVES FMC CORPORATION (US) 2004-11-18 WO disclosed
US-20040224994-A1 Insecticidal (dihalopropenyl) phenylalkyl substituted dihydrobenzofuran and dihydrobenzopyran derivatives FMC CORPORATION 2004-11-11 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 (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-20040224994-A1 Insecticidal (dihalopropenyl) phenylalkyl substituted dihydrobenzofuran and dihydrobenzopyran derivatives DDT, DHCR24, RPS24 CA12 2674/4885CA1 3544/4885CA2 3266/4885
US-20060094776-A1 Insecticidal (dihalopropenyl) phenylalkyl substituted dihydrobenzofuran and dihydrobenzopyran derivatives DDT, DHCR24, L3MBTL1 CA12 3461/4885CA1 4092/4885CA2 3565/4885

“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.