SCHEMBL10069902

SCHEMBL10069902

COc1ccc(/C=C/c2cccc(/C=C/c3ccc(OC)c(OC)c3)[n+]2CC(C)C)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
POLB P06746 2/20 0.54
KMT2A Q03164 2/20 0.54
CYP1A1 P04798 8/20 0.54
CYP1B1 Q16678 7/20 0.54
CYP1A2 P05177 4/20 0.54
NQO2 P16083 3/20 0.52
PTGS1 P23219 2/20 0.51
NFE2L2 Q16236 2/20 0.51
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP19A1 P11511 2/20 0.49
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 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
SCHEMBL10069916 0.89 MEN1 (0.44) MEN1POLBKMT2ACYP1A1CYP1B1
SCHEMBL10069918 0.87 HPGD (0.55) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL13126551 0.87 ALDH1A1 (0.50) MEN1POLBKMT2ACYP1A1CYP1B1
SCHEMBL14536864 0.84 MEN1 (0.68) MEN1POLBKMT2ACYP1A1CYP1B1
SCHEMBL10069210 0.82 CYP1A1 (0.45) MEN1POLBKMT2ACYP1A1CYP1B1
SCHEMBL13822529 0.81 TRPA1 (0.50) CYP1A1CYP1B1CYP1A2NQO2PTGS1
SCHEMBL10069720 0.79 MEN1 (0.66) MEN1POLBKMT2ACYP1A1CYP1B1
SCHEMBL13126912 0.78 KDM1A (0.41) MEN1POLBKMT2ACYP1A1CYP1B1
SCHEMBL14421991 0.78 CYP1A1 (0.47) CYP1A1CYP1B1CYP1A2MAPTPTGS2
SCHEMBL10069299 0.76 NFE2L2 (0.41) MEN1KMT2ACYP1A2PTGS1NFE2L2

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
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 (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-20070213299-A1 COMPOUNDS AND METHODS FOR CONTROLLING FUNGI, BACTERIA AND INSECTS BLVRB, PNPO, PLPBP MEN1 353/4885POLB 3115/4885KMT2A 1264/4885
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.