Sugi Predict

Sugi Predict / Compounds / SCHEMBL10069274

SCHEMBL10069274

SCHEMBL10069274

Cc1ccc(/C=C/c2cccc(/C=C/c3ccc(C)cc3)[n+]2CC(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 8/20 0.51
▸ CYP1A1 P04798 1/20 0.37
▸ CYP1B1 Q16678 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ ERBB2 P04626 2/20 0.36
▸ PTGS1 P23219 2/20 0.35
▸ PTGS2 P35354 2/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ APOBEC3A P31941 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ APOBEC3G Q9HC16 2/20 0.35
▸ FGF23 Q9GZV9 1/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ GFER P55789 1/20 0.34

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
SCHEMBL14139762 0.85 AHR (0.45) NFE2L2ERBB2PTGS1
SCHEMBL13126558 0.84 CYP1A2 (0.39) NFE2L2ERBB2PTGS1RAB9ANPC1
SCHEMBL10069204 0.83 CYP1A1 (0.42) NFE2L2CYP1A1CYP1B1RELARAB9A
SCHEMBL10069910 0.83 MEN1 (0.51) RELARAB9AMEN1APOBEC3AKMT2A
SCHEMBL13126554 0.83 NFE2L2 (0.40) NFE2L2RELAPTGS1PTGS2RAB9A
SCHEMBL13127036 0.83 TRPA1 (0.49) NFE2L2CYP1A1CYP1B1RELAPTGS2
SCHEMBL13127035 0.83 ALOX5 (0.39) NFE2L2ERBB2ALOX5RAB9AKDM4E
SCHEMBL13822222 0.81 PPARA (0.34) NFE2L2RELARAB9AMEN1KMT2A
SCHEMBL10069912 0.81 BCHE (0.49) RAB9AKDM4EMEN1KMT2ANPC1
SCHEMBL13126876 0.81 AKR1C3 (0.38) PTGS1PTGS2

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 NFE2L2 3995/4885CYP1A1 1805/4885CYP1B1 1069/4885
US-20090137639-A1 METHODS FOR CONTROLLING FUNGI AND BACTERIA PNPO, BLVRB, DPM1 NFE2L2 4495/4885CYP1A1 1809/4885CYP1B1 1570/4885
US-20100267716-A1 METHODS OF TREATING INFLAMMATIONS AND INFECTIONS WITH PYRIDINIUM SALTS PNPO, PLPBP, TPMT NFE2L2 1044/4885CYP1A1 1400/4885CYP1B1 1410/4885

“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.