SCHEMBL10069304

SCHEMBL10069304

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
RAB9A P51151 6/20 0.36
NPC1 O15118 4/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
APOBEC3A P31941 1/20 0.36
GFER P55789 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
TRPV1 Q8NER1 3/20 0.35
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
MAPT P10636 4/20 0.33
LMNA P02545 3/20 0.33
POLB P06746 3/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 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
SCHEMBL13126839 0.88 NFE2L2 (0.43) CYP1A2RAB9ANPC1NFE2L2
SCHEMBL10069299 0.83 NFE2L2 (0.41) CYP1A2RAB9ANPC1MEN1KMT2A
SCHEMBL10068870 0.83 CYP1A2 (0.42) CYP1A2RAB9ANPC1MEN1KMT2A
SCHEMBL10069298 0.81 KMT2A (0.43) CYP1A2RAB9ANPC1MEN1KMT2A
SCHEMBL10069303 0.81 NFE2L2 (0.42) RAB9ANPC1MEN1KMT2AAPOBEC3A
SCHEMBL13126892 0.81 RAB9A (0.37) RAB9ANPC1MEN1KMT2AAPOBEC3A
SCHEMBL13822712 0.81 NPC1 (0.35) CYP1A2RAB9ANPC1MEN1KMT2A
SCHEMBL10069294 0.80 RAB9A (0.39) RAB9ANPC1MEN1KMT2AAPOBEC3A
SCHEMBL13126940 0.79 MEN1 (0.56) RAB9ANPC1MEN1KMT2AAPOBEC3A
SCHEMBL13822529 0.79 TRPA1 (0.50) CYP1A2RAB9ANPC1TP53TSHR

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-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

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-20090137639-A1 METHODS FOR CONTROLLING FUNGI AND BACTERIA PNPO, BLVRB, DPM1 CYP1A2 1597/4885RAB9A 3300/4885NPC1 4376/4885
US-20100267716-A1 METHODS OF TREATING INFLAMMATIONS AND INFECTIONS WITH PYRIDINIUM SALTS PNPO, PLPBP, TPMT CYP1A2 821/4885RAB9A 4725/4885NPC1 3038/4885

“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.