SCHEMBL10069294

SCHEMBL10069294

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.39
NPC1 O15118 6/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
ALDH1A1 P00352 3/20 0.39
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
APOBEC3A P31941 1/20 0.36
GFER P55789 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
CHRM1 P11229 1/20 0.33
PDE4A P27815 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
PTGS1 P23219 3/20 0.33
PTGS2 P35354 3/20 0.33
LMNA P02545 3/20 0.33
CYP2C9 P11712 2/20 0.33

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
SCHEMBL14421966 0.88 RAB9A (0.40) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL13126899 0.84 NPC1 (0.40) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL10069299 0.84 NFE2L2 (0.41) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL10069298 0.83 KMT2A (0.43) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL10069303 0.83 NFE2L2 (0.42) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL13126892 0.83 RAB9A (0.37) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL13126549 0.82 NPC1 (0.36) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL13822529 0.80 TRPA1 (0.50) RAB9ANPC1SMN1; SMN2ALDH1A1PTGS1
SCHEMBL13126940 0.80 MEN1 (0.56) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL10069304 0.80 CYP1A2 (0.39) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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 RAB9A 3091/4885NPC1 3954/4885SMN1; SMN2 4041/4885
US-20090137639-A1 METHODS FOR CONTROLLING FUNGI AND BACTERIA PNPO, BLVRB, DPM1 RAB9A 3300/4885NPC1 4376/4885SMN1; SMN2 4529/4885
US-20100267716-A1 METHODS OF TREATING INFLAMMATIONS AND INFECTIONS WITH PYRIDINIUM SALTS PNPO, PLPBP, TPMT RAB9A 4725/4885NPC1 3038/4885SMN1; SMN2 3012/4885

“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.