SCHEMBL10069721

SCHEMBL10069721

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

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 8/20 0.62
ACHE P22303 1/20 0.54
NFE2L2 Q16236 2/20 0.51
PTGS1 P23219 1/20 0.51
MEN1 O00255 1/20 0.51
POLB P06746 1/20 0.51
KMT2A Q03164 1/20 0.51
PABPC1 P11940 1/20 0.48
RAB9A P51151 1/20 0.48
EIF4H Q15056 1/20 0.48
APP P05067 3/20 0.46
CYP1A1 P04798 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP1B1 Q16678 2/20 0.46
NQO2 P16083 1/20 0.45

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
SCHEMBL10069720 0.86 MEN1 (0.66) TUBB1NFE2L2PTGS1MEN1POLB
SCHEMBL13126886 0.84 TUBB1 (0.57) TUBB1ACHENFE2L2PTGS1MEN1
SCHEMBL10069724 0.83 MEN1 (0.52) TUBB1ACHENFE2L2PTGS1MEN1
Iodide SCHEMBL31276755 0.82 ACHE (0.82) TUBB1ACHEMEN1POLBKMT2A
SCHEMBL10069731 0.81 TUBB1 (0.54) TUBB1ACHENFE2L2PTGS1MEN1
SCHEMBL28111934 0.79 TUBB1 (0.72) TUBB1NFE2L2PTGS1APPCYP1A1
SCHEMBL14104820 0.79 TUBB1 (0.77) TUBB1NFE2L2PTGS1CYP1A1CYP1A2
SCHEMBL3395891 0.77 TUBB1 (0.64) TUBB1NFE2L2PTGS1APPCYP1A1
SCHEMBL13127031 0.77 KDM1A (0.47) ACHENFE2L2PTGS1MEN1POLB
SCHEMBL18003049 0.77 TUBB1 (0.64) TUBB1NFE2L2PTGS1MEN1POLB

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-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-7547444-B1 Methods for controlling fungi and bacteria MYCOSOL, INC. (US) 2009-06-16 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 563/4885ACHE 39/4885NFE2L2 3995/4885
US-20090137639-A1 METHODS FOR CONTROLLING FUNGI AND BACTERIA PNPO, BLVRB, DPM1 TUBB1 287/4885ACHE 289/4885NFE2L2 4495/4885
US-20100267716-A1 METHODS OF TREATING INFLAMMATIONS AND INFECTIONS WITH PYRIDINIUM SALTS PNPO, PLPBP, TPMT TUBB1 906/4885ACHE 226/4885NFE2L2 1044/4885

“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.