SCHEMBL10069724

SCHEMBL10069724

COc1ccc(/C=C/c2cccc(/C=C/c3ccc(OC)c(C)c3)[n+]2C)cc1C

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
POLB P06746 1/20 0.52
KMT2A Q03164 1/20 0.52
TUBB1 Q9H4B7 6/20 0.49
APP P05067 4/20 0.47
CYP1A1 P04798 4/20 0.47
CYP1A2 P05177 4/20 0.47
CYP1B1 Q16678 4/20 0.47
NQO2 P16083 2/20 0.46
ACHE P22303 2/20 0.46
PTGS1 P23219 1/20 0.45
NFE2L2 Q16236 1/20 0.45
CYP19A1 P11511 1/20 0.43

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
SCHEMBL10069720 0.87 MEN1 (0.66) MEN1POLBKMT2ATUBB1APP
SCHEMBL10069740 0.84 MEN1 (0.55) MEN1POLBKMT2ATUBB1APP
SCHEMBL10069721 0.83 TUBB1 (0.62) MEN1POLBKMT2ATUBB1APP
SCHEMBL10069916 0.80 MEN1 (0.44) MEN1POLBKMT2ATUBB1APP
SCHEMBL14363441 0.78 CYP1A1 (0.73) TUBB1APPCYP1A1CYP1A2CYP1B1
SCHEMBL13127029 0.78 MEN1 (0.37) MEN1POLBKMT2ACYP1A1CYP1A2
SCHEMBL18648519 0.78 TUBB1 (0.59) TUBB1APPCYP1A1CYP1A2CYP1B1
SCHEMBL3394056 0.78 TUBB1 (0.59) TUBB1APPCYP1A1CYP1A2CYP1B1
SCHEMBL13127030 0.76 APP (0.58) MEN1POLBKMT2AAPPCYP1A1
SCHEMBL10069723 0.75 TRPA1 (0.60) TUBB1APPCYP1A1CYP1A2CYP1B1

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 6 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-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 MEN1 353/4885POLB 3115/4885KMT2A 1264/4885
US-20090137639-A1 METHODS FOR CONTROLLING FUNGI AND BACTERIA PNPO, BLVRB, DPM1 MEN1 808/4885POLB 2554/4885KMT2A 1155/4885
US-20100267716-A1 METHODS OF TREATING INFLAMMATIONS AND INFECTIONS WITH PYRIDINIUM SALTS PNPO, PLPBP, TPMT MEN1 2265/4885POLB 1939/4885KMT2A 3654/4885

“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.