SCHEMBL10069743

SCHEMBL10069743

CC[n+]1c(/C=C/c2ccc(OC)c(C)c2OC)cccc1/C=C/c1ccc(OC)c(C)c1OC

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 6/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 2/20 0.40
CYP1A1 P04798 5/20 0.40
CYP1B1 Q16678 5/20 0.40
CYP1A2 P05177 3/20 0.40
CYP19A1 P11511 2/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
GFER P55789 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL10069736 0.92 MEN1 (0.41) NFE2L2MEN1KMT2APOLBCYP1A1
SCHEMBL13822578 0.86 NFE2L2 (0.39) NFE2L2MEN1KMT2ACYP1A1CYP1B1
SCHEMBL13126840 0.84 NFE2L2 (0.43) NFE2L2MEN1KMT2ACYP1A1CYP1B1
SCHEMBL10069742 0.76 MEN1 (0.41) NFE2L2MEN1KMT2APOLBCYP1A1
SCHEMBL10069212 0.76 CYP1A2 (0.63) NFE2L2MEN1KMT2APOLBCYP1A1
SCHEMBL10069719 0.75 NFE2L2 (0.39) NFE2L2MEN1KMT2APOLBCYP1A1
SCHEMBL14139624 0.74 CYP1A2 (0.55) NFE2L2MEN1KMT2APOLBCYP1A1
SCHEMBL10069740 0.73 MEN1 (0.55) NFE2L2MEN1KMT2APOLBCYP1A1
SCHEMBL13126914 0.73 KDM1A (0.44) NFE2L2MEN1KMT2APOLBCYP1A1
SCHEMBL10069213 0.73 MEN1 (0.54) NFE2L2MEN1KMT2APOLBCYP1A1

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
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
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 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.