SCHEMBL10069731

SCHEMBL10069731

COc1ccc(/C=C/c2cccc(/C=C/c3ccc(OC)c(F)c3)[n+]2CC(F)(F)F)cc1F

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 8/20 0.54
NFE2L2 Q16236 2/20 0.45
PTGS1 P23219 1/20 0.45
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
APP P05067 3/20 0.40
CYP1A1 P04798 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP1B1 Q16678 2/20 0.40
ACHE P22303 1/20 0.40
NQO2 P16083 1/20 0.40
PABPC1 P11940 1/20 0.39
RAB9A P51151 1/20 0.39
EIF4H Q15056 1/20 0.39

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
SCHEMBL13126886 0.85 TUBB1 (0.57) TUBB1NFE2L2PTGS1MEN1POLB
SCHEMBL13126951 0.81 TUBB1 (0.45) TUBB1NFE2L2MEN1POLBKMT2A
SCHEMBL10069721 0.81 TUBB1 (0.62) TUBB1NFE2L2PTGS1MEN1POLB
SCHEMBL10069727 0.80 APP (0.52) MEN1POLBKMT2AAPP
SCHEMBL13127036 0.80 TRPA1 (0.49) TUBB1NFE2L2APPCYP1A1CYP1A2
SCHEMBL10069726 0.77 CYP1A1 (0.44) NFE2L2MEN1POLBKMT2ACYP1A1
SCHEMBL14536925 0.76 CYP1A1 (0.46) MEN1POLBKMT2ACYP1A1CYP1A2
SCHEMBL10069274 0.75 NFE2L2 (0.51) NFE2L2PTGS1MEN1KMT2ACYP1A1
SCHEMBL13822099 0.74 NFE2L2 (0.35) NFE2L2PTGS1MEN1POLBKMT2A
SCHEMBL13860860 0.74 PABPC1 (0.36) NFE2L2PABPC1RAB9AEIF4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124626-B2 Methods of treating inflammations and infections with pyridinium salts MYCOSOL, INC. (US) 2012-02-28 US disclosed
US-7820696-B2 Compounds and methods for controlling fungi, bacteria and insects MYCOSOL, INC. (US) 2010-10-26 US disclosed
US-20100267716-A1 METHODS OF TREATING INFLAMMATIONS AND INFECTIONS WITH PYRIDINIUM SALTS KLEIN RICHARD B 2010-10-21 US disclosed
US-20090137639-A1 METHODS FOR CONTROLLING FUNGI AND BACTERIA MYCOSOL, INC. 2009-05-28 US disclosed
US-20070213299-A1 COMPOUNDS AND METHODS FOR CONTROLLING FUNGI, BACTERIA AND INSECTS MYCOSOL, INC. 2007-09-13 US disclosed
US-7220761-B2 Compounds and methods for controlling fungi, bacteria and insects MYCOSOL, INC. (US) 2007-05-22 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-20070213299-A1 COMPOUNDS AND METHODS FOR CONTROLLING FUNGI, BACTERIA AND INSECTS BLVRB, PNPO, PLPBP TUBB1 563/4885NFE2L2 3995/4885PTGS1 2442/4885
US-20090137639-A1 METHODS FOR CONTROLLING FUNGI AND BACTERIA PNPO, BLVRB, DPM1 TUBB1 287/4885NFE2L2 4495/4885PTGS1 2903/4885
US-20100267716-A1 METHODS OF TREATING INFLAMMATIONS AND INFECTIONS WITH PYRIDINIUM SALTS PNPO, PLPBP, TPMT TUBB1 906/4885NFE2L2 1044/4885PTGS1 48/4885

“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.