SCHEMBL546111

SCHEMBL546111

COCOc1cc(F)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KCNN4 O15554 1/20 0.36
CA3 P07451 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
ADRA1D P25100 2/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL2475470 0.84 MEN1 (0.48) TDP1L3MBTL1MEN1ALDH1A1POLB
SCHEMBL15255300 0.82 ACHE (0.42) TDP1L3MBTL1KCNN4HTTMEN1
SCHEMBL4749281 0.82 FFAR1 (0.47) TDP1KCNN4
SCHEMBL31167307 0.82 FYN (0.37) TDP1L3MBTL1KCNN4CA9CA14
SCHEMBL30755347 0.82 FFAR1 (0.47) TDP1KCNN4
SCHEMBL394047 0.81 FFAR1 (0.46) L3MBTL1MEN1ALDH1A1HPGDKMT2A
SCHEMBL7709134 0.81 FLT1 (0.33) TDP1L3MBTL1KCNN4HTTALDH1A1
SCHEMBL986851 0.81 BACE1 (0.46)
SCHEMBL19243739 0.81 CA12 (0.45) CA9CA14MEN1ALDH1A1KMT2A
SCHEMBL981866 0.81 CYP3A4 (0.39) TDP1L3MBTL1HTT

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
US-8110593-B2 Phenoxymethyl imidazoline derivatives and their use as pesticides SYNGENTA CROP PROTECTION LLC (US) 2012-02-07 US disclosed
US-8110593-B2 Phenoxymethyl imidazoline derivatives and their use as pesticides SYNGENTA CROP PROTECTION LLC (US) 2012-02-07 US disclosed
US-8110593-B2 Phenoxymethyl imidazoline derivatives and their use as pesticides SYNGENTA CROP PROTECTION LLC (US) 2012-02-07 US disclosed
US-20100120881-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-05-13 US disclosed
US-20100120881-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-05-13 US disclosed
US-20100120881-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-05-13 US disclosed
WO-2008098657-A2 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2008-08-21 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 (1 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-20100120881-A1 CHEMICAL COMPOUNDS AADAC, ACHE, ATL3 TDP1 3479/4885L3MBTL1 511/4885KCNN4 3043/4885

“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.