SCHEMBL10069210

SCHEMBL10069210

COc1cc(OC)c(OC)cc1/C=C/c1cccc(/C=C/c2cc(OC)c(OC)cc2OC)[n+]1CC(C)C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 10/20 0.45
CYP1B1 Q16678 10/20 0.45
CYP1A2 P05177 9/20 0.45
HMGCR P04035 1/20 0.44
CYP3A4 P08684 1/20 0.44
NFE2L2 Q16236 2/20 0.40
ABCG2 Q9UNQ0 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GFER P55789 1/20 0.38
MAPT P10636 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
SCHEMBL13126912 0.88 KDM1A (0.41) CYP1A1CYP1B1CYP1A2NFE2L2MEN1
SCHEMBL10069209 0.85 CYP1A1 (0.58) CYP1A1CYP1B1CYP1A2CYP3A4NFE2L2
SCHEMBL10069207 0.82 MEN1 (0.33) CYP1A1CYP1B1CYP1A2NFE2L2MEN1
SCHEMBL13126941 0.82 MEN1 (0.48) CYP1A1CYP1B1CYP1A2NFE2L2MEN1
SCHEMBL10069902 0.82 MEN1 (0.54) CYP1A1CYP1B1CYP1A2NFE2L2ABCG2
SCHEMBL13822578 0.80 NFE2L2 (0.39) CYP1A1CYP1B1CYP1A2NFE2L2MEN1
SCHEMBL14421991 0.79 CYP1A1 (0.47) CYP1A1CYP1B1CYP1A2ABCG2MAPT
SCHEMBL10069726 0.79 CYP1A1 (0.44) CYP1A1CYP1B1CYP1A2HMGCRCYP3A4
SCHEMBL10069079 0.79 CYP1A1 (0.53) CYP1A1CYP1B1CYP1A2HMGCRCYP3A4
SCHEMBL13126949 0.78 CYP1A1 (0.43) CYP1A1CYP1B1CYP1A2HMGCRCYP3A4

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 CYP1A1 1805/4885CYP1B1 1069/4885CYP1A2 1498/4885
US-20090137639-A1 METHODS FOR CONTROLLING FUNGI AND BACTERIA PNPO, BLVRB, DPM1 CYP1A1 1809/4885CYP1B1 1570/4885CYP1A2 1597/4885
US-20100267716-A1 METHODS OF TREATING INFLAMMATIONS AND INFECTIONS WITH PYRIDINIUM SALTS PNPO, PLPBP, TPMT CYP1A1 1400/4885CYP1B1 1410/4885CYP1A2 821/4885

“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.