SCHEMBL10069280

SCHEMBL10069280

COc1ccc(/C=C/c2cccc(/C=C/c3ccc(OC)cc3OC)[n+]2CC(F)(F)F)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 16/20 0.56
CYP1B1 Q16678 16/20 0.56
CYP1A2 P05177 15/20 0.56
NFE2L2 Q16236 2/20 0.51
CYP19A1 P11511 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2E1 P05181 1/20 0.49
CYP2C8 P10632 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2A6 P11509 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP4B1 P13584 1/20 0.49
CYP2B6 P20813 1/20 0.49
CYP3A5 P20815 1/20 0.49
CYP2A7 P20853 1/20 0.49
CYP3A7 P24462 1/20 0.49
CYP2F1 P24903 1/20 0.49
CYP2C18 P33260 1/20 0.49
CYP2J2 P51589 1/20 0.49

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
SCHEMBL14536860 0.90 CYP1A1 (0.44) CYP1A1CYP1B1CYP1A2NFE2L2CYP19A1
SCHEMBL13127034 0.86 MEN1 (0.50) CYP1A1CYP1B1CYP1A2NFE2L2CYP19A1
SCHEMBL10069726 0.85 CYP1A1 (0.44) CYP1A1CYP1B1CYP1A2NFE2L2CYP3A4
SCHEMBL13126950 0.85 CYP1A2 (0.39) CYP1A1CYP1B1CYP1A2NFE2L2CYP19A1
SCHEMBL14536925 0.84 CYP1A1 (0.46) CYP1A1CYP1B1CYP1A2MEN1KMT2A
SCHEMBL10069212 0.84 CYP1A2 (0.63) CYP1A1CYP1B1CYP1A2NFE2L2CYP19A1
SCHEMBL13117095 0.83 CYP1A1 (0.38) CYP1A1CYP1B1CYP1A2NFE2L2CYP19A1
SCHEMBL10069209 0.81 CYP1A1 (0.58) CYP1A1CYP1B1CYP1A2NFE2L2CYP19A1
SCHEMBL13127036 0.80 TRPA1 (0.49) CYP1A1CYP1B1CYP1A2NFE2L2CYP19A1
SCHEMBL13822099 0.80 NFE2L2 (0.35) CYP1A1CYP1B1CYP1A2NFE2L2MEN1

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.