SCHEMBL10069719

SCHEMBL10069719

COc1ccc(/C=C/c2cccc(/C=C/c3ccc(OC)c(C)c3C)[n+]2C)c(C)c1C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 2/20 0.38
ACHE P22303 2/20 0.38
CYP1A1 P04798 7/20 0.38
CYP1B1 Q16678 7/20 0.38
CYP1A2 P05177 6/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GFER P55789 1/20 0.38
BCHE P06276 1/20 0.38
CYP19A1 P11511 1/20 0.36

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
SCHEMBL13126840 0.91 NFE2L2 (0.43) NFE2L2MEN1KMT2AACHECYP1A1
SCHEMBL13126939 0.84 CYP1A1 (0.54) NFE2L2MEN1KMT2ACYP1A1CYP1B1
SCHEMBL10069736 0.83 MEN1 (0.41) NFE2L2MEN1KMT2APOLBCYP1A1
SCHEMBL10069079 0.77 CYP1A1 (0.53) NFE2L2MEN1KMT2APOLBACHE
SCHEMBL13127029 0.76 MEN1 (0.37) NFE2L2MEN1KMT2APOLBACHE
SCHEMBL10069081 0.76 CYP1A2 (0.69) NFE2L2MEN1KMT2ACYP1A1CYP1B1
SCHEMBL10069743 0.75 NFE2L2 (0.40) NFE2L2MEN1KMT2APOLBCYP1A1
SCHEMBL10069087 0.75 CYP1A1 (0.45) NFE2L2MEN1KMT2APOLBACHE
SCHEMBL31689790 0.74 NFE2L2 (0.55) NFE2L2CYP1A1CYP1B1CYP1A2CYP19A1
SCHEMBL31689795 0.74 NFE2L2 (0.55) NFE2L2CYP1A1CYP1B1CYP1A2CYP19A1

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
EP-1601652-B1 PYRIDINIUM SALTS, COMPOUNDS AND METHODS OF USE MYCOSOL INC (US) 2008-07-30 EP disclosed
US-20070213299-A1 COMPOUNDS AND METHODS FOR CONTROLLING FUNGI, BACTERIA AND INSECTS MYCOSOL, INC. 2007-09-13 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 NFE2L2 3995/4885MEN1 353/4885KMT2A 1264/4885
US-20090137639-A1 METHODS FOR CONTROLLING FUNGI AND BACTERIA PNPO, BLVRB, DPM1 NFE2L2 4495/4885MEN1 808/4885KMT2A 1155/4885
US-20100267716-A1 METHODS OF TREATING INFLAMMATIONS AND INFECTIONS WITH PYRIDINIUM SALTS PNPO, PLPBP, TPMT NFE2L2 1044/4885MEN1 2265/4885KMT2A 3654/4885

“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.