SCHEMBL10069732

SCHEMBL10069732

CC[n+]1c(/C=C/c2ccc(OCc3ccccc3)c(OC)c2)cccc1/C=C/c1ccc(OCc2ccccc2)c(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ POLB P06746 1/20 0.57
▸ APP P05067 8/20 0.56
▸ HDAC3 O15379 1/20 0.54
▸ HDAC4 P56524 1/20 0.54
▸ HDAC1 Q13547 1/20 0.54
▸ HDAC7 Q8WUI4 1/20 0.54
▸ HDAC2 Q92769 1/20 0.54
▸ HDAC10 Q969S8 1/20 0.54
▸ HDAC11 Q96DB2 1/20 0.54
▸ HDAC8 Q9BY41 1/20 0.54
▸ HDAC6 Q9UBN7 1/20 0.54
▸ HDAC9 Q9UKV0 1/20 0.54
▸ HDAC5 Q9UQL6 1/20 0.54
▸ HPGD P15428 4/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ KDM4E B2RXH2 3/20 0.53
▸ HTT P42858 2/20 0.53
▸ LMNA P02545 1/20 0.50

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
SCHEMBL13126935 0.89 MEN1 (0.51) MEN1KMT2APOLBAPPHDAC3
SCHEMBL13127030 0.88 APP (0.58) MEN1KMT2APOLBAPPHDAC3
SCHEMBL10069918 0.87 HPGD (0.55) MEN1KMT2AAPPHDAC3HDAC4
SCHEMBL10069727 0.86 APP (0.52) MEN1KMT2APOLBAPPHDAC3
SCHEMBL14536864 0.86 MEN1 (0.68) MEN1KMT2APOLBAPPHPGD
SCHEMBL19734612 0.86 APP (0.70) MEN1KMT2AAPPHDAC3HDAC4
SCHEMBL13126551 0.83 ALDH1A1 (0.50) MEN1KMT2APOLBAPPHPGD
SCHEMBL9587052 0.80 CYP1A1 (0.65) APPHDAC3HDAC4HDAC1HDAC7
SCHEMBL9587050 0.80 CYP1A1 (0.65) APPHDAC3HDAC4HDAC1HDAC7
SCHEMBL13822095 0.80 APP (0.53) MEN1KMT2APOLBAPPHDAC3

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
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

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

“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.

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