Sugi Predict

Sugi Predict / Compounds / SCHEMBL10069207

SCHEMBL10069207

SCHEMBL10069207

COc1cc(C)c(/C=C/c2cccc(/C=C/c3cc(C)c(OC)cc3C)[n+]2CC(C)C)cc1C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ NFE2L2 Q16236 3/20 0.32
▸ CYP1A1 P04798 2/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ CYP1B1 Q16678 2/20 0.31
▸ TAAR1 Q96RJ0 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL13822184 0.92 ALDH1A1 (0.36) MEN1POLBKMT2AALDH1A1NPC1
SCHEMBL10069742 0.85 MEN1 (0.41) MEN1POLBKMT2AALDH1A1NPC1
SCHEMBL10069210 0.82 CYP1A1 (0.45) MEN1POLBKMT2AALDH1A1NPC1
SCHEMBL10069916 0.82 MEN1 (0.44) MEN1POLBKMT2AALDH1A1PTGS1
SCHEMBL13822099 0.81 NFE2L2 (0.35) MEN1POLBKMT2AALDH1A1NPC1
SCHEMBL13127029 0.80 MEN1 (0.37) MEN1POLBKMT2AALDH1A1NPC1
SCHEMBL13126912 0.79 KDM1A (0.41) MEN1POLBKMT2ANPC1RAB9A
SCHEMBL10069209 0.79 CYP1A1 (0.58) MEN1KMT2AALDH1A1NFE2L2CYP1A1
SCHEMBL13822578 0.79 NFE2L2 (0.39) MEN1KMT2ANPC1RAB9ANFE2L2
SCHEMBL14422036 0.78 RAB9A (0.36) MEN1POLBKMT2ANPC1RAB9A

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
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 353/4885POLB 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.