SCHEMBL3266089

SCHEMBL3266089

CC(C)COCC1C[N]C(=O)O1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
CTSV O60911 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
CTSC P53634 1/20 0.33
CTSF Q9UBX1 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL3266074 0.81 HCAR2 (0.31)
SCHEMBL3273351 0.79
SCHEMBL3267149 0.78 SMN1; SMN2 (0.40) ALDH1A1TDP1
SCHEMBL5091907 0.77
SCHEMBL3273884 0.77
SCHEMBL8547070 0.77
SCHEMBL3271279 0.73 ALDH1A1 (0.50) ALDH1A1
SCHEMBL10354500 0.71 MAPT (0.45) MAPTALDH1A1TDP1CYP3A4CYP2C19
SCHEMBL3071497 0.70
SCHEMBL24519217 0.70 MAPT (0.44) MAPTALDH1A1TDP1CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1517881-B1 4-(3,3-DIHALO-ALLYLOXY)PHENOXY ALKYL DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2010-06-02 EP disclosed
US-7414064-B2 4-(3,3-dihalo-allyloxy) phenoxy alkyl derivatives SYNGENTA CROP PROTECTION, INC. (US) 2008-08-19 US disclosed
US-20070142445-A1 4-(3,3-Dihalo-Allyloxy) Phenoxy Alkyl Derivatives SYNGENTA CROP PROTECTION, INC. (US) 2007-06-21 US disclosed
US-7192965-B2 4-(3,3-dihalo-allyloxy)phenoxy alkyl derivatives SYNGENTA CROP PROTECTION, INC. (US) 2007-03-20 US disclosed
US-20050245583-A1 4-(3,3-dihalo-allyloxy)phenoxy alkyl derivatives SYNGENTA CROP PROTECTION, INC. 2005-11-03 US disclosed
EP-1517881-A1 4-(3,3-DIHALO-ALLYLOXY)PHENOXY ALKYL DERIVATIVES Syngenta Participations AG (CH) 2005-03-30 EP disclosed
WO-2004002943-A1 4-(3,3-DIHALO-ALLYLOXY)PHENOXY ALKYL DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2004-01-08 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-20050245583-A1 4-(3,3-dihalo-allyloxy)phenoxy alkyl derivatives DDT, RER1, SCN7A MAPT 1819/4885ALDH1A1 3383/4885TDP1 4240/4885
US-20070142445-A1 4-(3,3-Dihalo-Allyloxy) Phenoxy Alkyl Derivatives DDT, RER1, SCN7A MAPT 1819/4885ALDH1A1 3383/4885TDP1 4240/4885

“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.