SCHEMBL10069299

SCHEMBL10069299

Cc1ccc(/C=C/c2cccc(/C=C/c3ccc(C)cc3)[n+]2CC(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 7/20 0.41
RAB9A P51151 5/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
NPC1 O15118 4/20 0.38
APOBEC3A P31941 3/20 0.38
APOBEC3G Q9HC16 3/20 0.38
GFER P55789 2/20 0.38
RELA Q04206 1/20 0.38
ALOX5 P09917 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
KDM4E B2RXH2 3/20 0.35
HPGD P15428 2/20 0.35
FGF23 Q9GZV9 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
CA1 P00915 1/20 0.34
MAPT P10636 2/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL10069298 0.85 KMT2A (0.43) NFE2L2RAB9AMEN1KMT2ANPC1
SCHEMBL10069303 0.85 NFE2L2 (0.42) NFE2L2RAB9AMEN1KMT2ANPC1
SCHEMBL13126892 0.85 RAB9A (0.37) RAB9AMEN1KMT2ANPC1APOBEC3A
SCHEMBL10069294 0.84 RAB9A (0.39) RAB9AMEN1KMT2ANPC1APOBEC3A
SCHEMBL13822529 0.83 TRPA1 (0.50) NFE2L2RAB9ANPC1RELAALOX5
SCHEMBL10069304 0.83 CYP1A2 (0.39) NFE2L2RAB9AMEN1KMT2ANPC1
SCHEMBL13126940 0.83 MEN1 (0.56) RAB9AMEN1KMT2ANPC1APOBEC3A
SCHEMBL13126839 0.83 NFE2L2 (0.43) NFE2L2RAB9ANPC1PTGS1CA1
SCHEMBL13126885 0.82 ALOX5 (0.42) RAB9AMEN1KMT2ANPC1APOBEC3A
SCHEMBL10068864 0.81 ALDH1A3 (0.44) RAB9AMEN1KMT2ANPC1APOBEC3A

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 NFE2L2 3995/4885RAB9A 3091/4885MEN1 353/4885
US-20090137639-A1 METHODS FOR CONTROLLING FUNGI AND BACTERIA PNPO, BLVRB, DPM1 NFE2L2 4495/4885RAB9A 3300/4885MEN1 808/4885
US-20100267716-A1 METHODS OF TREATING INFLAMMATIONS AND INFECTIONS WITH PYRIDINIUM SALTS PNPO, PLPBP, TPMT NFE2L2 1044/4885RAB9A 4725/4885MEN1 2265/4885

“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.