SCHEMBL11942657

SCHEMBL11942657

CO[C@@H]1O[C@@H](C)[C@H](OC)[C@@H](OC(=O)Nc2ccc(-c3ncn(-c4ccc(OC(F)(F)F)cc4)n3)cc2)[C@H]1OC

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
SCN10A Q9Y5Y9 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
ACHE P22303 1/20 0.35
EPHX2 P34913 3/20 0.35
CHRNA7 P36544 2/20 0.35
LMNA P02545 1/20 0.35
ABL1 P00519 3/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4549498 0.94 MAPT (0.37) MAPTSCN10ATRPV1ACHEEPHX2
SCHEMBL20550978 0.94 MAPT (0.37) MAPTSCN10ATRPV1ACHEEPHX2
SCHEMBL18098901 0.90 MAPT (0.36) MAPTTRPV1ACHELMNAABL1
SCHEMBL16079290 0.90 MAPT (0.36) MAPTTRPV1ACHELMNAABL1
SCHEMBL18098989 0.90 MAPT (0.34) MAPTTRPV1ACHECHRNA7LMNA
SCHEMBL20551001 0.90 MAPT (0.34) MAPTTRPV1ACHECHRNA7LMNA
SCHEMBL29658131 0.88 ABCG2 (0.34) MAPTABL1
SCHEMBL18099074 0.88 ABCG2 (0.34) MAPTABL1
SCHEMBL18098874 0.88 ABCG2 (0.34) MAPTABL1
SCHEMBL18098913 0.88 MAPT (0.33) MAPTSCN10ATRPV1ACHEEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2461688-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2016-03-16 EP disclosed
US-8927729-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2015-01-06 US disclosed
US-8927729-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2015-01-06 US disclosed
US-20140135364-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2014-05-15 US disclosed
US-8674109-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2014-03-18 US disclosed
US-8674109-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2014-03-18 US disclosed
US-20120190543-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-07-26 US disclosed
US-20120190543-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-07-26 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-20120190543-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, AADAC MAPT 3486/4885SCN10A 2215/4885TRPV1 2104/4885
US-20140135364-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PLCG2 MAPT 4057/4885SCN10A 2279/4885TRPV1 531/4885

“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.