SCHEMBL10069303

SCHEMBL10069303

CC(C)C[n+]1c(/C=C/c2ccc(C(C)C)cc2)cccc1/C=C/c1ccc(C(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 1/20 0.40
TYR P14679 1/20 0.39
RAB9A P51151 6/20 0.38
SMN1; SMN2 Q16637 6/20 0.38
NPC1 O15118 4/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
APOBEC3A P31941 1/20 0.37
GFER P55789 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
LMNA P02545 5/20 0.36
ALDH1A1 P00352 4/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 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
SCHEMBL10069299 0.85 NFE2L2 (0.41) NFE2L2PTGS1PTGS2KDM4ERAB9A
SCHEMBL10068869 0.85 NFE2L2 (0.43) NFE2L2PTGS1PTGS2KDM4EMAPK1
SCHEMBL10069298 0.84 KMT2A (0.43) NFE2L2PTGS1PTGS2KDM4ETYR
SCHEMBL13126892 0.84 RAB9A (0.37) RAB9ASMN1; SMN2NPC1POLBMEN1
SCHEMBL10069294 0.83 RAB9A (0.39) PTGS1PTGS2RAB9ASMN1; SMN2NPC1
SCHEMBL13126940 0.81 MEN1 (0.56) MAPK1RAB9ASMN1; SMN2NPC1POLB
SCHEMBL13822529 0.81 TRPA1 (0.50) NFE2L2PTGS1PTGS2KDM4ERAB9A
SCHEMBL10069304 0.81 CYP1A2 (0.39) NFE2L2KDM4EMAPK1RAB9ASMN1; SMN2
SCHEMBL13126839 0.81 NFE2L2 (0.43) NFE2L2PTGS1RAB9ANPC1GRIK1
SCHEMBL13126554 0.80 NFE2L2 (0.40) NFE2L2PTGS1PTGS2KDM4EMAPK1

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 4 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-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 (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-20070213299-A1 COMPOUNDS AND METHODS FOR CONTROLLING FUNGI, BACTERIA AND INSECTS BLVRB, PNPO, PLPBP NFE2L2 3995/4885PTGS1 2442/4885PTGS2 2333/4885
US-20100267716-A1 METHODS OF TREATING INFLAMMATIONS AND INFECTIONS WITH PYRIDINIUM SALTS PNPO, PLPBP, TPMT NFE2L2 1044/4885PTGS1 48/4885PTGS2 114/4885

“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.